N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide
N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | D433-0280 |
| Compound Name: | N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide |
| Molecular Weight: | 416.44 |
| Molecular Formula: | C22 H20 N6 O3 |
| Smiles: | Cc1cccc(c1)N(Cc1nc2nc(C)cc(C)n2n1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2492 |
| logD: | 3.2492 |
| logSw: | -3.2434 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.553 |
| InChI Key: | XFBMCGNPEWQIIY-UHFFFAOYSA-N |