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

Formula:C23H15N6O3Cl3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
MolecularFormula	C23H15N6O3Cl3S
Smiles	[O-][N+](c(cc1)cc(/C=N\NC(CSc2nnc(-c(cc3)ccc3Cl)n2-c(cc2)ccc2Cl)=O)c1Cl)=O
InChI	InChI=1S/C23H15Cl3N6O3S/c24-16-3-1-14(2-4-16)22-29-30-23(31(22)18-7-5-17(25)6-8-18)36-13-21(33)28-27-12-15-11-19(32(34)35)9-10-20(15)26/h1-12H,13H2,(H,28,33)
InChIK	VXFLBEVNDPFBOX-UHFFFAOYSA-N
TotalMolweight	561.836
Molweight	561.836
MonoisotopicMass	559.99919
CLogP	5.4282
CLogS	-11.084
H Acceptors	9
H Donors	1
TotalSurfaceArea	394.41
Relative PSA	0.28582
PolarSurfaceArea	143.29
Druglikeness	0.3391
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

Request More Details | 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments