(E)-N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-thiophen-2-ylprop-2-enamide

Formula:C22H19N3OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-thiophen-2-ylprop-2-enamide
MolecularFormula	C22H19N3OS
Smiles	O=C(/C=C/c1cccs1)NC(Cc1ccccc1)c1nc(cccc2)c2[nH]1
InChI	InChI=1S/C22H19N3OS/c26-21(13-12-17-9-6-14-27-17)23-20(15-16-7-2-1-3-8-16)22-24-18-10-4-5-11-19(18)25-22/h1-14,20H,15H2,(H,23,26)(H,24,25)/t20-/m0/s1
InChIK	OHQNPDPOQJSGOO-FQEVSTJZSA-N
TotalMolweight	373.479
Molweight	373.479
MonoisotopicMass	373.124882
CLogP	3.93
CLogS	-4.025
H Acceptors	4
H Donors	2
TotalSurfaceArea	293.62
Relative PSA	0.23779
PolarSurfaceArea	86.02
Druglikeness	2.9479
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon	racemate

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1 - (E)-N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-thiophen-2-ylprop-2-enamide

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