butyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
butyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
butyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0452 |
| Compound Name: | butyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 357.37 |
| Molecular Formula: | C17 H19 N5 O4 |
| Smiles: | CCCCOC(C1C(c2ccc(cc2)[N+]([O-])=O)n2c(NC=1C)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3402 |
| logD: | 3.0518 |
| logSw: | -3.4963 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.419 |
| InChI Key: | XXRODLHIWLMQOX-HNNXBMFYSA-N |