prop-2-en-1-yl 5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
prop-2-en-1-yl 5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K832-3741 |
| Compound Name: | prop-2-en-1-yl 5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 341.32 |
| Molecular Formula: | C16 H15 N5 O4 |
| Smiles: | CC1=C(C(c2ccc(cc2)[N+]([O-])=O)n2c(N1)ncn2)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3598 |
| logD: | 2.1777 |
| logSw: | -2.9051 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.419 |
| InChI Key: | REEHKSYZWDRCPQ-AWEZNQCLSA-N |