N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide

Formula:C20H14N3OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide
MolecularFormula	C20H14N3OBrS
Smiles	O=C(c1cccs1)N/C(/c1nc(cccc2)c2[nH]1)=C/c(cc1)ccc1Br
InChI	InChI=1S/C20H14BrN3OS/c21-14-9-7-13(8-10-14)12-17(24-20(25)18-6-3-11-26-18)19-22-15-4-1-2-5-16(15)23-19/h1-12H,(H,22,23)(H,24,25)
InChIK	SHOYNIQDFXZNKN-UHFFFAOYSA-N
TotalMolweight	424.321
Molweight	424.321
MonoisotopicMass	423.004093
CLogP	4.6966
CLogS	-5.068
H Acceptors	4
H Donors	2
TotalSurfaceArea	284.2
Relative PSA	0.24567
PolarSurfaceArea	86.02
Druglikeness	2.3246
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46154
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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