4572774 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 8 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 10 11 12 13 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 21 21 21 22 22 23 24 24 25 25 26 27 27 28 28 29 29 31 31 31 12 14 13 50 24 25 26 31 30 57 10 11 33 15 21 42 9 10 12 11 17 16 19 18 14 15 32 34 35 36 37 20 38 22 39 20 40 23 41 43 24 44 45 23 46 47 48 49 26 27 28 29 51 30 52 30 53 54 55 56 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 13 2 14 15 32 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 5.3923 4.7524 7.0743 5.1133 5.7944 4.5274 6.0733 5.0274 4.0274 5.3364 3.7183 5.7123 5.7328 6.0528 6.3933 6.3518 3.3424 6.7328 2.7029 7.0547 6.7338 2.3219 2 6.4138 6.7543 5.7739 7.4148 5.4538 7.0948 6.1143 4.1329 5.3233 4.5274 6.5968 6.4402 6.9374 6.7807 6.5365 3.5408 7.1459 2.5182 5.4654 7.6607 7.2778 7.1212 1.9088 1.394 5.8698 6.0265 4.554 8.0227 4.846 7.5043 4.011 3.525 4.2547 6.2039 3.1049 1.21 -2.7407 -3.1339 -6.5304 6.3759 -0.2916 4.837 4.837 5.7881 5.7881 4.0523 1.4066 2.3541 0.6558 6.0204 4.0523 4.261 6.0204 5.2517 -1.0424 4.261 5.2517 -1.9899 -3.6881 -3.8847 -4.439 -4.8321 -5.3864 -5.583 -3.3305 1.8722 6.9959 2.0567 2.8382 0.3584 1.1399 6.6122 3.4649 3.7987 6.6122 -0.4135 5.3829 -1.3398 -0.5583 3.7987 5.3829 -1.6925 -2.474 0.6227 -4.3171 -4.954 -5.8519 -2.7226 -3.4523 -3.9384 -6.9959 8 8 8 8 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 6 6 8 8 8 9 9 10 11 12 13 16 17 18 19 22 25 25 26 27 28 29 10 11 9 10 12 11 17 16 19 18 2 20 22 20 23 23 26 27 28 29 30 30 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 538 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 10 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B38000000000000000000000000000001600000003060C000000000005801FC00001E00100800000C1CE19E0632C6F2C99600A003246244008288202122200899A03EEC980F37E2C6B19B87782AE7D01DDBF807F0F0EF0E8100000A000A40000200001400148000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxy-propyl]amino]ethoxy]-3-methoxy-phenol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-[[3-(9<I>H</I>-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-[[3-(9H-carbazol-4-yloxy)-2-oxidanyl-propyl]amino]ethoxy]-3-methoxy-phenol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxy-propyl]amino]ethoxy]-3-methoxy-phenol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H26N2O5/c1-29-23-13-16(27)9-10-21(23)30-12-11-25-14-17(28)15-31-22-8-4-7-20-24(22)18-5-2-3-6-19(18)26-20/h2-10,13,17,25-28H,11-12,14-15H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZCJHEORDHXCJNB-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 422.18417193 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H26N2O5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 422.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=CC(=C1)O)OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=CC(=C1)O)OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 96 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 422.18417193 31 1 0 1 0 0 0 0 1 -1