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

Formula:C23H19N6OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide is a drug-like molecule.

MolName	2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
MolecularFormula	C23H19N6OClS
Smiles	C/C(/c1ccncc1)=N/NC(CSc1nnc(-c2ccccc2)n1-c(cc1)ccc1Cl)=O
InChI	InChI=1S/C23H19ClN6OS/c1-16(17-11-13-25-14-12-17)26-27-21(31)15-32-23-29-28-22(18-5-3-2-4-6-18)30(23)20-9-7-19(24)8-10-20/h2-14H,15H2,1H3,(H,27,31)
InChIK	QZHFNQCYTMGCNL-UHFFFAOYSA-N
TotalMolweight	462.964
Molweight	462.964
MonoisotopicMass	462.102956
CLogP	4.0748
CLogS	-8.717
H Acceptors	7
H Donors	1
TotalSurfaceArea	349.13
Relative PSA	0.26718
PolarSurfaceArea	110.36
Druglikeness	4.4359
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	4
StereoCon

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1 - 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide | 2 - 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide

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