N-(4-chlorophenyl)-5-methyl-7-(2-nitrophenyl)-2-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-5-methyl-7-(2-nitrophenyl)-2-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(4-chlorophenyl)-5-methyl-7-(2-nitrophenyl)-2-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-1597 |
| Compound Name: | N-(4-chlorophenyl)-5-methyl-7-(2-nitrophenyl)-2-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 478.82 |
| Molecular Formula: | C20 H14 Cl F3 N6 O3 |
| Smiles: | CC1=C(C(c2ccccc2[N+]([O-])=O)n2c(N1)nc(C(F)(F)F)n2)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5913 |
| logD: | 3.2811 |
| logSw: | -4.8292 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.221 |
| InChI Key: | XRWYKAPWAVZOCI-INIZCTEOSA-N |