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

Formula:C21H16N5OClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
MolecularFormula	C21H16N5OClS2
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c(cc1)ccc1Cl)N/N=C\c1cccs1
InChI	InChI=1S/C21H16ClN5OS2/c22-16-8-10-17(11-9-16)27-20(15-5-2-1-3-6-15)25-26-21(27)30-14-19(28)24-23-13-18-7-4-12-29-18/h1-13H,14H2,(H,24,28)
InChIK	HDZAMWQQLMTPHH-UHFFFAOYSA-N
TotalMolweight	453.977
Molweight	453.977
MonoisotopicMass	453.048477
CLogP	5.0044
CLogS	-9.162
H Acceptors	6
H Donors	1
TotalSurfaceArea	335.84
Relative PSA	0.30571
PolarSurfaceArea	125.71
Druglikeness	6.7325
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
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-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

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