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

Formula:C28H21N6O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
MolecularFormula	C28H21N6O2ClS
Smiles	O=C(CSc1nnc(-c2ccncc2)n1-c(cc1)ccc1Cl)N/N=C\c1cc(Oc2ccccc2)ccc1
InChI	InChI=1S/C28H21ClN6O2S/c29-22-9-11-23(12-10-22)35-27(21-13-15-30-16-14-21)33-34-28(35)38-19-26(36)32-31-18-20-5-4-8-25(17-20)37-24-6-2-1-3-7-24/h1-18H,19H2,(H,32,36)
InChIK	SSYXXLACANBSSR-UHFFFAOYSA-N
TotalMolweight	541.034
Molweight	541.034
MonoisotopicMass	540.113521
CLogP	5.5325
CLogS	-10.654
H Acceptors	8
H Donors	1
TotalSurfaceArea	408.42
Relative PSA	0.25288
PolarSurfaceArea	119.59
Druglikeness	5.3697
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55263
Fragments	1
Non HAtoms	38
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	4
StereoCon

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

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