N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbenzamide--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]-3-methylbenzamide--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]-3-methylbenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D481-0771 |
| Compound Name: | N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 530.82 |
| Molecular Formula: | C25 H18 Cl2 F N5 O |
| Salt: | HCl |
| Smiles: | Cc1cccc(c1)C(Nc1nc2NC(=CC(c3c(cccc3[Cl])F)n2n1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3536 |
| logD: | 6.2652 |
| logSw: | -6.2775 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.884 |
| InChI Key: | GXISXYPSWGMIIM-NRFANRHFSA-N |