2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Formula:C19H18N2O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is a drug-like molecule.

MolName	2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
MolecularFormula	C19H18N2O2Cl2S
Smiles	NC(c1c(NC(/C=C/c(ccc(Cl)c2)c2Cl)=O)sc2c1CCCCC2)=O
InChI	InChI=1S/C19H18Cl2N2O2S/c20-12-8-6-11(14(21)10-12)7-9-16(24)23-19-17(18(22)25)13-4-2-1-3-5-15(13)26-19/h6-10H,1-5H2,(H2,22,25)(H,23,24)
InChIK	MEQOCJKELUMQGC-UHFFFAOYSA-N
TotalMolweight	409.336
Molweight	409.336
MonoisotopicMass	408.046602
CLogP	4.9906
CLogS	-6.581
H Acceptors	4
H Donors	2
TotalSurfaceArea	297.08
Relative PSA	0.2463
PolarSurfaceArea	100.43
Druglikeness	-2.1295
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Amides	2
StereoCon

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1 - 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide | 2 - 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

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