2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]acetamide

Formula:C23H18N4OBrFS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]acetamide
MolecularFormula	C23H18N4OBrFS
Smiles	O=C(CSc1nc(cccc2)c2n1Cc1ccccc1)N/N=C\c(cc(cc1)Br)c1F
InChI	InChI=1S/C23H18BrFN4OS/c24-18-10-11-19(25)17(12-18)13-26-28-22(30)15-31-23-27-20-8-4-5-9-21(20)29(23)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,28,30)
InChIK	UFJVKOBKILHUBA-UHFFFAOYSA-N
TotalMolweight	497.391
Molweight	497.391
MonoisotopicMass	496.03687
CLogP	5.5724
CLogS	-5.844
H Acceptors	5
H Donors	1
TotalSurfaceArea	339.3
Relative PSA	0.21026
PolarSurfaceArea	84.58
Druglikeness	3.1264
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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