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

Formula:C29H21N5OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
MolecularFormula	C29H21N5OCl2S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1Cl)N/N=C\c(cc1)ccc1-c1ccccc1
InChI	InChI=1S/C29H21Cl2N5OS/c30-24-12-10-23(11-13-24)28-34-35-29(36(28)26-16-14-25(31)15-17-26)38-19-27(37)33-32-18-20-6-8-22(9-7-20)21-4-2-1-3-5-21/h1-18H,19H2,(H,33,37)
InChIK	YFKXTOVEUKVTRM-UHFFFAOYSA-N
TotalMolweight	558.492
Molweight	558.492
MonoisotopicMass	557.084384
CLogP	7.403
CLogS	-11.974
H Acceptors	6
H Donors	1
TotalSurfaceArea	415.08
Relative PSA	0.1983
PolarSurfaceArea	97.47
Druglikeness	5.4489
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57895
Fragments	1
Non HAtoms	38
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	2
Symmetricatoms	8
Aromatic Nitrogens	3
StereoCon

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

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