N-[5,7-bis(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[5,7-bis(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide
N-[5,7-bis(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | D413-0154 |
| Compound Name: | N-[5,7-bis(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide |
| Molecular Weight: | 507.33 |
| Molecular Formula: | C24 H16 Cl2 N6 O3 |
| Smiles: | C1C(c2ccc(cc2)[Cl])n2c(NC=1c1ccc(cc1)[Cl])nc(NC(c1ccc(cc1)[N+]([O-])=O)=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1628 |
| logD: | 6.1226 |
| logSw: | -6.6017 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.266 |
| InChI Key: | YQCQNCMMZYAIDQ-OAQYLSRUSA-N |