pentyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
pentyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
pentyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0159 |
| Compound Name: | pentyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 371.39 |
| Molecular Formula: | C18 H21 N5 O4 |
| Smiles: | CCCCCOC(C1C(c2cccc(c2)[N+]([O-])=O)n2c(NC=1C)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.837 |
| logD: | 3.5487 |
| logSw: | -3.7646 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.419 |
| InChI Key: | NJXKZVINPAKNAS-INIZCTEOSA-N |