(4R)-4-(2-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide

Formula:C22H20N3OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (4R)-4-(2-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide is a drug-like molecule.

MolName	(4R)-4-(2-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide
MolecularFormula	C22H20N3OClS
Smiles	Cc(cccc1)c1NC(C([C@H]1c(cccc2)c2Cl)=C(C)NC(SC)=C1C#N)=O
InChI	InChI=1S/C22H20ClN3OS/c1-13-8-4-7-11-18(13)26-21(27)19-14(2)25-22(28-3)16(12-24)20(19)15-9-5-6-10-17(15)23/h4-11,20,25H,1-3H3,(H,26,27)/t20-/m0/s1
InChIK	AUKKCWILOQMGBL-FQEVSTJZSA-N
TotalMolweight	409.94
Molweight	409.94
MonoisotopicMass	409.101559
CLogP	4.955
CLogS	-6.243
H Acceptors	4
H Donors	2
TotalSurfaceArea	309.93
Relative PSA	0.21621
PolarSurfaceArea	90.22
Druglikeness	-0.81136
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	polar activated DB
Shape Index	0.42857
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Amides	1
StereoCon	this enantiomer

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