N-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide--hydrogen chloride (1/1)
N-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D413-0012 |
| Compound Name: | N-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide--hydrogen chloride (1/1) |
| Molecular Weight: | 514.43 |
| Molecular Formula: | C24 H20 Cl N5 O2 S |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)S(Nc1nc2NC(=CC(c3ccc(cc3)[Cl])n2n1)c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7476 |
| logD: | 4.5054 |
| logSw: | -6.3385 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.443 |
| InChI Key: | HSQOUQCFHLDRPX-QFIPXVFZSA-N |