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

Formula:C23H15N5OCl4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
MolecularFormula	C23H15N5OCl4S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1Cl)N/N=C\c(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C23H15Cl4N5OS/c24-16-4-2-15(3-5-16)22-30-31-23(32(22)18-8-6-17(25)7-9-18)34-13-21(33)29-28-12-14-1-10-19(26)20(27)11-14/h1-12H,13H2,(H,29,33)
InChIK	HXCBPQZEVOFCFJ-UHFFFAOYSA-N
TotalMolweight	551.284
Molweight	551.284
MonoisotopicMass	548.975138
CLogP	6.9558
CLogS	-11.36
H Acceptors	6
H Donors	1
TotalSurfaceArea	386.16
Relative PSA	0.21315
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	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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

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