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

Formula:C21H19N2O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)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-(4-fluorophenyl)prop-2-enoate
MolecularFormula	C21H19N2O3FS
Smiles	N#Cc1c(NC(COC(/C=C/c(cc2)ccc2F)=O)=O)sc2c1CCCCC2
InChI	InChI=1S/C21H19FN2O3S/c22-15-9-6-14(7-10-15)8-11-20(26)27-13-19(25)24-21-17(12-23)16-4-2-1-3-5-18(16)28-21/h6-11H,1-5,13H2,(H,24,25)
InChIK	AXMKPFDWAIRWDC-UHFFFAOYSA-N
TotalMolweight	398.457
Molweight	398.457
MonoisotopicMass	398.110041
CLogP	4.1856
CLogS	-6.01
H Acceptors	5
H Donors	1
TotalSurfaceArea	309.54
Relative PSA	0.26316
PolarSurfaceArea	107.43
Druglikeness	-8.7221
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	2
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-(4-fluorophenyl)prop-2-enoate | 2 - [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate

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