ethyl 2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Formula:C23H24N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl 2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is not a drug-like molecule.

MolName	ethyl 2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
MolecularFormula	C23H24N2O3S
Smiles	CCOC(c1c(NC(/C(/C#N)=C/c2ccc(C(C)C)cc2)=O)sc2c1CCC2)=O
InChI	InChI=1S/C23H24N2O3S/c1-4-28-23(27)20-18-6-5-7-19(18)29-22(20)25-21(26)17(13-24)12-15-8-10-16(11-9-15)14(2)3/h8-12,14H,4-7H2,1-3H3,(H,25,26)
InChIK	QBWUHQJFQUXOLU-UHFFFAOYSA-N
TotalMolweight	408.521
Molweight	408.521
MonoisotopicMass	408.150763
CLogP	5.3656
CLogS	-6.064
H Acceptors	5
H Donors	1
TotalSurfaceArea	323.16
Relative PSA	0.25207
PolarSurfaceArea	107.43
Druglikeness	-6.5184
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	3
Amides	1
StereoCon

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1 - ethyl 2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate | 2 - ethyl 2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

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