2-[[(E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C34H27N5O2S Mutagenic:high Tumorigenic:low Reproductive Effective:none 2-[[(E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.

MolName	2-[[(E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C34H27N5O2S
Smiles	NC(c1c(NC(/C(/C#N)=C/c(cc2)ccc2-n(c(-c2ccccc2)c2)nc2-c2ccccc2)=O)sc2c1CCCC2)=O
InChI	InChI=1S/C34H27N5O2S/c35-21-25(33(41)37-34-31(32(36)40)27-13-7-8-14-30(27)42-34)19-22-15-17-26(18-16-22)39-29(24-11-5-2-6-12-24)20-28(38-39)23-9-3-1-4-10-23/h1-6,9-12,15-20H,7-8,13-14H2,(H2,36,40)(H,37,41)
InChIK	KGCYGKCKOYYGCF-UHFFFAOYSA-N
TotalMolweight	569.687
Molweight	569.687
MonoisotopicMass	569.188545
CLogP	5.9578
CLogS	-8.402
H Acceptors	7
H Donors	2
TotalSurfaceArea	439.64
Relative PSA	0.23785
PolarSurfaceArea	142.04
Druglikeness	-2.7365
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.47619
Fragments	1
Non HAtoms	42
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	4
Symmetricatoms	6
Amides	2
Aromatic Nitrogens	2
StereoCon

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1 - 2-[[(E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - 2-[[(E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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