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

Formula:C19H17N2O4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-(3-bromophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-(3-bromophenyl)prop-2-enoate
MolecularFormula	C19H17N2O4BrS
Smiles	NC(c1c(NC(COC(/C=C/c2cccc(Br)c2)=O)=O)sc2c1CCC2)=O
InChI	InChI=1S/C19H17BrN2O4S/c20-12-4-1-3-11(9-12)7-8-16(24)26-10-15(23)22-19-17(18(21)25)13-5-2-6-14(13)27-19/h1,3-4,7-9H,2,5-6,10H2,(H2,21,25)(H,22,23)
InChIK	FHBHMXAFTFPWND-UHFFFAOYSA-N
TotalMolweight	449.324
Molweight	449.324
MonoisotopicMass	448.009239
CLogP	3.3777
CLogS	-5.306
H Acceptors	6
H Donors	2
TotalSurfaceArea	298.86
Relative PSA	0.32192
PolarSurfaceArea	126.73
Druglikeness	-1.4322
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Amides	2
StereoCon

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

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