N-[5,7-bis(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-chlorobenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[5,7-bis(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-chlorobenzamide--hydrogen chloride (1/1)
N-[5,7-bis(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-chlorobenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D481-0398 |
| Compound Name: | N-[5,7-bis(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-chlorobenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 492.41 |
| Molecular Formula: | C26 H22 Cl N5 O |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)C1C=C(c2ccc(C)cc2)Nc2nc(NC(c3cccc(c3)[Cl])=O)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5573 |
| logD: | 6.3761 |
| logSw: | -6.4832 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.884 |
| InChI Key: | LPPKGMOEDVEYIN-QHCPKHFHSA-N |