N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-fluorobenzamide--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]-2-fluorobenzamide--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]-2-fluorobenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D481-0767 |
| Compound Name: | N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-fluorobenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 534.78 |
| Molecular Formula: | C24 H15 Cl2 F2 N5 O |
| Salt: | HCl |
| Smiles: | C1C(c2c(cccc2[Cl])F)n2c(NC=1c1ccc(cc1)[Cl])nc(NC(c1ccccc1F)=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9654 |
| logD: | 5.7698 |
| logSw: | -6.0743 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.884 |
| InChI Key: | NQMLBGWEFAQHPB-FQEVSTJZSA-N |