4-chloro-N-[(3-cyanophenyl)methyl]-N-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-[(3-cyanophenyl)methyl]-N-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzene-1-sulfonamide
4-chloro-N-[(3-cyanophenyl)methyl]-N-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | D513-3598 |
| Compound Name: | 4-chloro-N-[(3-cyanophenyl)methyl]-N-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 452.92 |
| Molecular Formula: | C21 H17 Cl N6 O2 S |
| Smiles: | Cc1cc(C)n2c(n1)nc(n2)N(Cc1cccc(C#N)c1)S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3962 |
| logD: | 3.3962 |
| logSw: | -3.9215 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.367 |
| InChI Key: | ZBFVRCPIXGQKQY-UHFFFAOYSA-N |