2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide

Formula:C21H15N5O2Cl2S Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.

MolName	2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
MolecularFormula	C21H15N5O2Cl2S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1Cl)N/N=C\c1ccco1
InChI	InChI=1S/C21H15Cl2N5O2S/c22-15-5-3-14(4-6-15)20-26-27-21(28(20)17-9-7-16(23)8-10-17)31-13-19(29)25-24-12-18-2-1-11-30-18/h1-12H,13H2,(H,25,29)
InChIK	CRXKSJSVOFNNRN-UHFFFAOYSA-N
TotalMolweight	472.355
Molweight	472.355
MonoisotopicMass	471.032349
CLogP	4.9325
CLogS	-9.57
H Acceptors	7
H Donors	1
TotalSurfaceArea	345.01
Relative PSA	0.27947
PolarSurfaceArea	110.61
Druglikeness	5.3531
Mutagenic	high
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	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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1 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide | 2 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide

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