4926 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 16 7 7 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 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 8 9 10 11 11 12 12 13 13 14 14 15 15 15 16 16 16 17 17 18 18 19 20 9 10 4 7 8 6 15 16 5 21 22 6 23 24 25 26 9 11 10 12 13 14 17 27 18 28 19 29 20 30 31 32 33 34 35 36 19 37 20 38 39 40 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 4.666 4.666 6.3981 4.666 5.5321 5.5321 5.5321 3.8 5.5321 3.8 6.426 2.9061 6.426 2.9061 6.3981 7.2641 7.3321 2 7.3321 2 4.454 4.0555 5.7441 6.1426 5.32 4.9215 6.4188 2.9132 6.4188 2.9132 7.0181 6.3981 5.7781 6.9541 7.801 7.5741 7.8678 1.4643 7.8678 1.4643 -2.9827 -0.9827 2.0173 0.0173 0.5173 1.5173 -1.4827 -1.4827 -2.4827 -2.4827 -0.948 -0.948 -3.0173 -3.0173 3.0173 1.5173 -1.4619 -1.4619 -2.5035 -2.5035 0.5999 -0.0903 -0.0653 0.625 2.0999 1.4097 -0.328 -0.328 -3.6373 -3.6373 3.0173 3.6373 3.0173 0.9804 1.2073 2.0543 -1.1498 -1.1498 -2.8156 -2.8156 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 9 10 11 12 13 14 17 18 9 11 10 12 13 14 17 18 19 20 19 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 285 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B00004000000000000000000000000000000000003C6080000000000000B14000001C04000000000808C1500432C183000008800024424000820000210A1008881C086488082062E0D191842008608000E8C8071000000000000000000001000000000000000200000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethyl-3-phenothiazin-10-yl-propan-1-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethyl-3-(10-phenothiazinyl)-1-propanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>,<I>N</I>-dimethyl-3-phenothiazin-10-ylpropan-1-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethyl-3-phenothiazin-10-yl-propan-1-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dimethyl(3-phenothiazin-10-ylpropyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZGUGWUXLJSTTMA-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 284.13471982 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H20N2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 284.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31 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 2021.10.14 284.13471982 20 0 0 0 0 0 0 0 1 -1