2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

Formula:C21H16N7OBrS Mutagenic:low Tumorigenic:none Reproductive Effective:none 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is a drug-like molecule.

MolName	2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
MolecularFormula	C21H16N7OBrS
Smiles	O=C(CSc1nnc(-c2ccncc2)n1-c(cc1)ccc1Br)N/N=C\c1ncccc1
InChI	InChI=1S/C21H16BrN7OS/c22-16-4-6-18(7-5-16)29-20(15-8-11-23-12-9-15)27-28-21(29)31-14-19(30)26-25-13-17-3-1-2-10-24-17/h1-13H,14H2,(H,26,30)
InChIK	NFYJQZCHUUWRKT-UHFFFAOYSA-N
TotalMolweight	494.376
Molweight	494.376
MonoisotopicMass	493.032039
CLogP	3.3092
CLogS	-7.684
H Acceptors	8
H Donors	1
TotalSurfaceArea	340.63
Relative PSA	0.30605
PolarSurfaceArea	123.25
Druglikeness	3.6355
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	5
StereoCon

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1 - 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide | 2 - 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

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