N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide

Formula:C21H17N4O2ClS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide is a drug-like molecule.

MolName	N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
MolecularFormula	C21H17N4O2ClS2
Smiles	O=C(CSCc(cc1)ccc1Cl)N/N=C\c(o1)ccc1Sc1nc(cccc2)c2[nH]1
InChI	InChI=1S/C21H17ClN4O2S2/c22-15-7-5-14(6-8-15)12-29-13-19(27)26-23-11-16-9-10-20(28-16)30-21-24-17-3-1-2-4-18(17)25-21/h1-11H,12-13H2,(H,24,25)(H,26,27)
InChIK	YJBAESDKDQUBLQ-UHFFFAOYSA-N
TotalMolweight	456.977
Molweight	456.977
MonoisotopicMass	456.048143
CLogP	4.9461
CLogS	-6.454
H Acceptors	6
H Donors	2
TotalSurfaceArea	337.29
Relative PSA	0.32631
PolarSurfaceArea	133.88
Druglikeness	6.9521
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.7
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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