N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide--hydrogen chloride (1/1)
N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D413-0240 |
| Compound Name: | N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 527.34 |
| Molecular Formula: | C24 H16 Cl F N6 O3 |
| Salt: | HCl |
| Smiles: | C1C(c2ccc(cc2)F)n2c(NC=1c1ccc(cc1)[Cl])nc(NC(c1ccc(cc1)[N+]([O-])=O)=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5972 |
| logD: | 5.5569 |
| logSw: | -6.3185 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.266 |
| InChI Key: | ZBHKQCSFTHXCMP-NRFANRHFSA-N |