65750 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 17 16 7 7 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 2 2 3 3 3 4 4 4 5 5 5 5 6 6 7 7 8 8 9 9 10 10 10 11 11 11 12 13 14 14 15 15 16 16 16 17 17 17 18 18 19 19 20 21 21 22 23 20 12 13 6 8 9 7 10 11 6 7 24 25 26 27 28 29 12 14 13 15 16 30 31 17 32 33 18 19 20 34 21 35 36 37 38 39 40 41 22 42 23 43 22 23 44 45 46 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 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 8.9942 5.4641 5.4641 3.732 4.5981 5.4641 4.5981 6.3301 4.5981 3.732 2.866 6.3301 4.5981 7.2241 3.7041 2.866 2 7.2241 3.7041 8.1301 2.7981 8.1301 2.7981 3.9875 4.386 6.0747 5.6762 5.2087 4.8101 4.3426 3.9441 2.4675 3.2646 7.2169 3.7113 3.176 2.3291 2.556 2.31 1.4631 1.69 7.2169 3.7113 2.2623 8.6659 2.2623 -1.2085 -3.2327 -1.2327 1.7673 0.2673 -0.2327 1.2673 -1.7327 -1.7327 2.7673 1.2673 -2.7327 -2.7327 -1.198 -1.198 3.2673 1.7673 -3.2673 -3.2673 -1.7118 -1.7118 -2.7535 -2.7535 0.375 -0.3153 -0.3403 0.3499 1.1597 1.8499 2.6597 3.3499 0.7924 0.7924 -0.578 -0.578 3.8043 3.5773 2.7304 2.3043 2.0773 1.2304 -3.8873 -3.8873 -1.3998 -3.0656 -3.0656 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 12 13 14 15 18 19 20 21 12 14 13 15 18 19 20 21 22 23 22 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 363 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B00004400000000000000000000000000000000003C6080000000000000B14000001C0600000000080AC1502432C183000008800024424000820000210F1008881C086688082062E1D391842008608000E8C8071000000000020000020001000004000004000200000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-chlorophenothiazin-10-yl)-N,N-diethyl-propan-1-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-chloro-10-phenothiazinyl)-N,N-diethyl-1-propanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-chlorophenothiazin-10-yl)-<I>N</I>,<I>N</I>-diethylpropan-1-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-chloranylphenothiazin-10-yl)-N,N-diethyl-propan-1-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-chlorophenothiazin-10-yl)propyl-diethyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H23ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DBOUGBAQLIXZLV-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 346.1270476 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H23ClN2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 346.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 31.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 346.1270476 23 0 0 0 0 0 0 0 1 -1