N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
Chemical Structure Depiction of
N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
Compound characteristics
| Compound ID: | F518-0262 |
| Compound Name: | N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C26 H21 N5 O S |
| Smiles: | Cc1c(C)nc2nc(c3ccccc3)nn2c1Sc1ccccc1NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5486 |
| logD: | 5.5484 |
| logSw: | -5.5703 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.477 |
| InChI Key: | INDYIVJCJXZMIO-UHFFFAOYSA-N |