2-[[(E)-3-cyclohex-3-en-1-ylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C24H27N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-cyclohex-3-en-1-ylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a drug-like molecule.

MolName	2-[[(E)-3-cyclohex-3-en-1-ylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C24H27N3O2S
Smiles	O=C(/C=C/C1CC=CCC1)Nc1c(C(NCc2cnccc2)=O)c(CCCC2)c2s1
InChI	InChI=1S/C24H27N3O2S/c28-21(13-12-17-7-2-1-3-8-17)27-24-22(19-10-4-5-11-20(19)30-24)23(29)26-16-18-9-6-14-25-15-18/h1-2,6,9,12-15,17H,3-5,7-8,10-11,16H2,(H,26,29)(H,27,28)/t17-/m1/s1
InChIK	DILGXXFRUBOETH-QGZVFWFLSA-N
TotalMolweight	421.563
Molweight	421.563
MonoisotopicMass	421.182397
CLogP	4.1576
CLogS	-5.153
H Acceptors	5
H Donors	2
TotalSurfaceArea	334.72
Relative PSA	0.23999
PolarSurfaceArea	99.33
Druglikeness	-6.1034
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Amides	2
Aromatic Nitrogens	1
StereoCon	racemate

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1 - 2-[[(E)-3-cyclohex-3-en-1-ylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - 2-[[(E)-3-cyclohex-3-en-1-ylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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