4927 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 6 6 7 7 8 8 8 9 10 11 11 11 12 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 20 9 10 5 6 7 4 11 12 5 8 21 22 23 9 13 10 14 24 25 26 15 16 27 28 29 30 31 32 17 34 18 33 19 36 20 35 19 37 20 38 40 39 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 4 3 5 8 21 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 4.666 4.666 5.5321 5.5321 4.666 5.5321 3.8 6.3981 5.5321 3.8 6.3981 4.666 6.426 2.9061 6.426 2.9061 7.3321 2 7.3321 2 6.069 4.454 4.0555 6.0881 6.935 6.7081 6.7081 6.935 6.0881 4.976 4.1291 4.356 2.9132 6.4188 2.9132 6.4188 7.8678 1.4643 1.4643 7.8678 -2.4827 -0.4827 2.0173 1.0173 0.5173 -0.9827 -0.9827 0.5173 -1.9827 -1.9827 2.5173 2.5173 -0.448 -0.448 -2.5173 -2.5173 -0.9619 -0.9619 -2.0035 -2.0035 1.3273 1.0999 0.4097 -0.0196 0.2073 1.0543 1.9804 2.8273 3.0543 3.0543 2.8273 1.9804 0.172 0.172 -3.1373 -3.1373 -0.6498 -0.6498 -2.3156 -2.3156 3 8 8 8 8 8 8 8 8 8 8 8 8 4 6 6 7 7 9 10 13 14 15 16 17 18 8 9 13 10 14 15 16 17 18 19 20 19 20 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 298 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371E07B00004000000000000000000000000000000000003C6080000000000000B14000001C04000000000828C1500432C183000008800024424000820000210A1008881C086488086062E09191942008608000E8C8071000000000000000000001000000000000000200000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 N,N-dimethyl-1-(10-phenothiazinyl)-2-propanamine IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 dimethyl-(1-methyl-2-phenothiazin-10-yl-ethyl)amine InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 PWWVAXIEGOYWEE-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.02.08 4.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 284.13472 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C17H20N2S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 284.4191 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 31.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 284.13472 20 1 0 1 0 0 0 0 1 1