2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide

Formula:C23H19N4O2ClS Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
MolecularFormula	C23H19N4O2ClS
Smiles	O=C(CSc1nc(cccc2)c2n1Cc(cc1)ccc1Cl)N/N=C\C=C\c1ccco1
InChI	InChI=1S/C23H19ClN4O2S/c24-18-11-9-17(10-12-18)15-28-21-8-2-1-7-20(21)26-23(28)31-16-22(29)27-25-13-3-5-19-6-4-14-30-19/h1-14H,15-16H2,(H,27,29)
InChIK	NZZNTOCWBSIZBU-UHFFFAOYSA-N
TotalMolweight	450.949
Molweight	450.949
MonoisotopicMass	450.091723
CLogP	4.5594
CLogS	-5.406
H Acceptors	6
H Donors	1
TotalSurfaceArea	345.93
Relative PSA	0.24702
PolarSurfaceArea	97.72
Druglikeness	6.1423
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide | 2 - 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide

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