N-[(4-cyanophenyl)methyl]-N-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
Chemical Structure Depiction of
N-[(4-cyanophenyl)methyl]-N-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
N-[(4-cyanophenyl)methyl]-N-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
Compound characteristics
| Compound ID: | D513-3531 |
| Compound Name: | N-[(4-cyanophenyl)methyl]-N-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide |
| Molecular Weight: | 418.48 |
| Molecular Formula: | C21 H18 N6 O2 S |
| Smiles: | Cc1cc(C)n2c(n1)nc(n2)N(Cc1ccc(C#N)cc1)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6964 |
| logD: | 2.6964 |
| logSw: | -2.9792 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.367 |
| InChI Key: | YHCGOUGHDAVTBM-UHFFFAOYSA-N |