2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide

Formula:C23H17N6O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
MolecularFormula	C23H17N6O3BrS
Smiles	[O-][N+](c1cccc(/C=N\NC(CSc2nnc(-c3ccccc3)n2-c(cc2)ccc2Br)=O)c1)=O
InChI	InChI=1S/C23H17BrN6O3S/c24-18-9-11-19(12-10-18)29-22(17-6-2-1-3-7-17)27-28-23(29)34-15-21(31)26-25-14-16-5-4-8-20(13-16)30(32)33/h1-14H,15H2,(H,26,31)
InChIK	YBYGVWKIILSFJS-UHFFFAOYSA-N
TotalMolweight	537.397
Molweight	537.397
MonoisotopicMass	536.02662
CLogP	4.3354
CLogS	-9.71
H Acceptors	9
H Donors	1
TotalSurfaceArea	366.78
Relative PSA	0.30735
PolarSurfaceArea	143.29
Druglikeness	-1.485
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52941
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	4
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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

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