2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
Compound characteristics
Compound ID: | 5756-1168 |
Compound Name: | 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one |
Molecular Weight: | 325.39 |
Molecular Formula: | C16 H15 N5 O S |
Smiles: | Cc1ccc(cc1)C(CSc1nnc(c2cccnc2)n1N)=O |
Stereo: | ACHIRAL |
logP: | 1.6244 |
logD: | 1.6176 |
logSw: | -1.5431 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 64.904 |
InChI Key: | VEHNLGRFTVFWCY-UHFFFAOYSA-N |