2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C26H24N2O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.

MolName	2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C26H24N2O2Cl2S
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc1c(C(NCCc2ccccc2)=O)c(CCCC2)c2s1
InChI	InChI=1S/C26H24Cl2N2O2S/c27-19-12-10-18(21(28)16-19)11-13-23(31)30-26-24(20-8-4-5-9-22(20)33-26)25(32)29-15-14-17-6-2-1-3-7-17/h1-3,6-7,10-13,16H,4-5,8-9,14-15H2,(H,29,32)(H,30,31)
InChIK	VKWZSOKGBQIWPE-UHFFFAOYSA-N
TotalMolweight	499.461
Molweight	499.461
MonoisotopicMass	498.093552
CLogP	6.8483
CLogS	-7.662
H Acceptors	4
H Donors	2
TotalSurfaceArea	373.54
Relative PSA	0.18568
PolarSurfaceArea	86.44
Druglikeness	-1.6896
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	2
Amides	2
StereoCon

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1 - 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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