N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzamide--hydrogen chloride (1/1)
N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D481-0658 |
| Compound Name: | N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 512.83 |
| Molecular Formula: | C25 H19 Cl2 N5 O |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)C(Nc1nc2NC(=CC(c3ccccc3[Cl])n2n1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6057 |
| logD: | 6.5713 |
| logSw: | -6.1734 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.884 |
| InChI Key: | ZMNRDVLWFCESQI-QFIPXVFZSA-N |