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

Formula:C22H17N6OBrS Mutagenic:low Tumorigenic:none Reproductive Effective:none 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is a drug-like molecule.

MolName	2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
MolecularFormula	C22H17N6OBrS
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Br)n1-c1ccccc1)N/N=C\c1ncccc1
InChI	InChI=1S/C22H17BrN6OS/c23-17-11-9-16(10-12-17)21-27-28-22(29(21)19-7-2-1-3-8-19)31-15-20(30)26-25-14-18-6-4-5-13-24-18/h1-14H,15H2,(H,26,30)
InChIK	DDADSFCGEXHYCW-UHFFFAOYSA-N
TotalMolweight	493.388
Molweight	493.388
MonoisotopicMass	492.03679
CLogP	4.3101
CLogS	-8.479
H Acceptors	7
H Donors	1
TotalSurfaceArea	341.87
Relative PSA	0.27285
PolarSurfaceArea	110.36
Druglikeness	3.6355
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	4
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments