ethyl 2-[[(4S)-3-cyano-5-[(2,4-dichlorophenyl)carbamoyl]-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate

Formula:C22H19N3O4Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl 2-[[(4S)-3-cyano-5-[(2,4-dichlorophenyl)carbamoyl]-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate is a drug-like molecule.

MolName	ethyl 2-[[(4S)-3-cyano-5-[(2,4-dichlorophenyl)carbamoyl]-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate
MolecularFormula	C22H19N3O4Cl2S
Smiles	CCOC(CSC(NC(C)=C([C@@H]1c2ccco2)C(Nc(ccc(Cl)c2)c2Cl)=O)=C1C#N)=O
InChI	InChI=1S/C22H19Cl2N3O4S/c1-3-30-18(28)11-32-22-14(10-25)20(17-5-4-8-31-17)19(12(2)26-22)21(29)27-16-7-6-13(23)9-15(16)24/h4-9,20,26H,3,11H2,1-2H3,(H,27,29)/t20-/m0/s1
InChIK	IJGNTOXGINDUNC-FQEVSTJZSA-N
TotalMolweight	492.382
Molweight	492.382
MonoisotopicMass	491.047331
CLogP	4.4607
CLogS	-6.452
H Acceptors	7
H Donors	2
TotalSurfaceArea	358.05
Relative PSA	0.29091
PolarSurfaceArea	129.66
Druglikeness	-4.1303
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	polar activated DB
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Amides	1
StereoCon	this enantiomer

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1 - ethyl 2-[[(4S)-3-cyano-5-[(2,4-dichlorophenyl)carbamoyl]-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate | 2 - ethyl 2-[[(4S)-3-cyano-5-[(2,4-dichlorophenyl)carbamoyl]-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate

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