N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methoxybenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methoxybenzamide--hydrogen chloride (1/1)
N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methoxybenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D413-0108 |
| Compound Name: | N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methoxybenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 524.41 |
| Molecular Formula: | C26 H22 Cl N5 O3 |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1)C1C=C(c2ccc(cc2)[Cl])Nc2nc(NC(c3ccccc3OC)=O)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4498 |
| logD: | 5.0969 |
| logSw: | -6.1486 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.059 |
| InChI Key: | DOLUUPSUDWKTJC-QFIPXVFZSA-N |