N-(4-{[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfamoyl}phenyl)acetamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(4-{[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfamoyl}phenyl)acetamide--hydrogen chloride (1/1)
N-(4-{[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfamoyl}phenyl)acetamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D413-0014 |
| Compound Name: | N-(4-{[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfamoyl}phenyl)acetamide--hydrogen chloride (1/1) |
| Molecular Weight: | 557.46 |
| Molecular Formula: | C25 H21 Cl N6 O3 S |
| Salt: | HCl |
| Smiles: | CC(Nc1ccc(cc1)S(Nc1nc2NC(=CC(c3ccc(cc3)[Cl])n2n1)c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5254 |
| logD: | 4.0174 |
| logSw: | -4.9472 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.705 |
| InChI Key: | CZYLEUZRSLZSRS-QHCPKHFHSA-N |