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methyl (3R,4R)-6-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate

Formula:C23H19N3O5Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none methyl (3R,4R)-6-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate is not a drug-like molecule.
MolNamemethyl (3R,4R)-6-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
MolecularFormulaC23H19N3O5Cl2S
SmilesCOC([C@H]([C@@H](c(cccc1)c1Cl)C(C#N)=C(N1)SCC(Nc(cc(cc2)Cl)c2OC)=O)C1=O)=O
InChIInChI=1S/C23H19Cl2N3O5S/c1-32-17-8-7-12(24)9-16(17)27-18(29)11-34-22-14(10-26)19(13-5-3-4-6-15(13)25)20(21(30)28-22)23(31)33-2/h3-9,19-20H,11H2,1-2H3,(H,27,29)(H,28,30)/t19-,20+/m0/s1
InChIKZBWYFVBXTRLKMC-VQTJNVASSA-N
TotalMolweight520.392
Molweight520.392
MonoisotopicMass519.042246
CLogP3.657
CLogS-6.026
H Acceptors8
H Donors2
TotalSurfaceArea371.93
Relative PSA0.30406
PolarSurfaceArea142.82
Druglikeness-7.4371
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.44118
Fragments1
Non HAtoms34
NonCHAtoms11
Electronegative Atoms11
StereoCenters2
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Amides2
StereoConthis enantiomer

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