N-(6-chloro-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(cyanomethyl)-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-(cyanomethyl)-4-methylbenzene-1-sulfonamide
N-(6-chloro-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(cyanomethyl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | D513-3660 |
| Compound Name: | N-(6-chloro-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(cyanomethyl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 390.85 |
| Molecular Formula: | C16 H15 Cl N6 O2 S |
| Smiles: | Cc1ccc(cc1)S(N(CC#N)c1nc2nc(C)c(c(C)n2n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4758 |
| logD: | 2.4758 |
| logSw: | -3.4177 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.599 |
| InChI Key: | VTTPQSIVYJSHIT-UHFFFAOYSA-N |