N-(6-chloro-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-cyanophenyl)methyl]-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(6-chloro-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-cyanophenyl)methyl]-4-methylbenzene-1-sulfonamide
N-(6-chloro-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-cyanophenyl)methyl]-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | D513-3667 |
| Compound Name: | N-(6-chloro-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-cyanophenyl)methyl]-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 466.95 |
| Molecular Formula: | C22 H19 Cl N6 O2 S |
| Smiles: | Cc1ccc(cc1)S(N(Cc1ccc(C#N)cc1)c1nc2nc(C)c(c(C)n2n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1011 |
| logD: | 4.1011 |
| logSw: | -4.6418 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.913 |
| InChI Key: | VAQGAQDHMDVAKF-UHFFFAOYSA-N |