[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

Formula:C19H18N2O4S Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormula	C19H18N2O4S
Smiles	N#Cc1c(NC(COC(/C=C/c2ccco2)=O)=O)sc2c1CCCCC2
InChI	InChI=1S/C19H18N2O4S/c20-11-15-14-6-2-1-3-7-16(14)26-19(15)21-17(22)12-25-18(23)9-8-13-5-4-10-24-13/h4-5,8-10H,1-3,6-7,12H2,(H,21,22)
InChIK	IOBXNJFFUXUQTD-UHFFFAOYSA-N
TotalMolweight	370.428
Molweight	370.428
MonoisotopicMass	370.098728
CLogP	3.2735
CLogS	-5.378
H Acceptors	6
H Donors	1
TotalSurfaceArea	292.88
Relative PSA	0.32631
PolarSurfaceArea	120.57
Druglikeness	-7.4101
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	7
Amides	1
StereoCon

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1 - [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate | 2 - [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

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