N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide--hydrogen chloride (1/1)
N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D481-0781 |
| Compound Name: | N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide--hydrogen chloride (1/1) |
| Molecular Weight: | 490.77 |
| Molecular Formula: | C18 H14 Cl2 F N5 O2 S |
| Salt: | HCl |
| Smiles: | CS(Nc1nc2NC(=CC(c3c(cccc3[Cl])F)n2n1)c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1167 |
| logD: | 3.4313 |
| logSw: | -4.5118 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.66 |
| InChI Key: | SSSLOOVKFAVLJO-HNNXBMFYSA-N |