4-[(Z)-[[2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid

Formula:C23H17N6O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[[2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.

MolName	4-[(Z)-[[2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
MolecularFormula	C23H17N6O3ClS
Smiles	OC(c1ccc(/C=N\NC(CSc2nnc(-c3ccncc3)n2-c(cc2)ccc2Cl)=O)cc1)=O
InChI	InChI=1S/C23H17ClN6O3S/c24-18-5-7-19(8-6-18)30-21(16-9-11-25-12-10-16)28-29-23(30)34-14-20(31)27-26-13-15-1-3-17(4-2-15)22(32)33/h1-13H,14H2,(H,27,31)(H,32,33)
InChIK	RERBGJCWKCHKGB-UHFFFAOYSA-N
TotalMolweight	492.946
Molweight	492.946
MonoisotopicMass	492.077136
CLogP	3.622
CLogS	-8.37
H Acceptors	9
H Donors	2
TotalSurfaceArea	362.76
Relative PSA	0.3292
PolarSurfaceArea	147.66
Druglikeness	5.274
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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1 - 4-[(Z)-[[2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid

Request More Details | 4-[(Z)-[[2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid

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