4-chloro-N-(5,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-(5,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-nitrobenzamide
4-chloro-N-(5,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | D413-0271 |
| Compound Name: | 4-chloro-N-(5,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 472.89 |
| Molecular Formula: | C24 H17 Cl N6 O3 |
| Smiles: | C1C(c2ccccc2)n2c(NC=1c1ccccc1)nc(NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.162 |
| logD: | 4.2167 |
| logSw: | -5.9641 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.965 |
| InChI Key: | UXEBEPCMWPDVDO-FQEVSTJZSA-N |