[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate

Formula:C19H14N2O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
MolecularFormula	C19H14N2O3Cl2S
Smiles	N#Cc1c(NC(COC(/C=C/c(ccc(Cl)c2)c2Cl)=O)=O)sc2c1CCC2
InChI	InChI=1S/C19H14Cl2N2O3S/c20-12-6-4-11(15(21)8-12)5-7-18(25)26-10-17(24)23-19-14(9-22)13-2-1-3-16(13)27-19/h4-8H,1-3,10H2,(H,23,24)
InChIK	AUDKTDQAHPXPEP-UHFFFAOYSA-N
TotalMolweight	421.303
Molweight	421.303
MonoisotopicMass	420.010217
CLogP	4.6128
CLogS	-6.628
H Acceptors	5
H Donors	1
TotalSurfaceArea	306.51
Relative PSA	0.26577
PolarSurfaceArea	107.43
Druglikeness	-4.9832
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Amides	1
StereoCon

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1 - [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate | 2 - [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate

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