2-chloro-N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-5-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-5-nitrobenzamide
2-chloro-N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-5-nitrobenzamide
Compound characteristics
| Compound ID: | C908-0222 |
| Compound Name: | 2-chloro-N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-5-nitrobenzamide |
| Molecular Weight: | 360.76 |
| Molecular Formula: | C15 H13 Cl N6 O3 |
| Smiles: | Cc1cc(C)n2c(n1)nc(CNC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.0398 |
| logD: | 2.0321 |
| logSw: | -3.275 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.615 |
| InChI Key: | IHJVSCSTODHRGZ-UHFFFAOYSA-N |