N-[5-(4-chlorophenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbenzamide--hydrogen chloride (1/1)
N-[5-(4-chlorophenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D481-0261 |
| Compound Name: | N-[5-(4-chlorophenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 478.38 |
| Molecular Formula: | C25 H20 Cl N5 O |
| Salt: | HCl |
| Smiles: | Cc1cccc(c1)C(Nc1nc2NC(=CC(c3ccccc3)n2n1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0178 |
| logD: | 5.9294 |
| logSw: | -6.2257 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.884 |
| InChI Key: | DAHZVWODEWBLDY-QFIPXVFZSA-N |