N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)-4-nitrobenzamide
N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | D433-0126 |
| Compound Name: | N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)-4-nitrobenzamide |
| Molecular Weight: | 420.4 |
| Molecular Formula: | C21 H17 F N6 O3 |
| Smiles: | Cc1cc(C)n2c(n1)nc(CN(C(c1ccc(cc1)[N+]([O-])=O)=O)c1ccc(cc1)F)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.8688 |
| logD: | 2.8688 |
| logSw: | -3.2427 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.553 |
| InChI Key: | ITHXHBDVTMVTCO-UHFFFAOYSA-N |