2-methoxyethyl 2,5-dimethyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 2,5-dimethyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
2-methoxyethyl 2,5-dimethyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-7510 |
| Compound Name: | 2-methoxyethyl 2,5-dimethyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 373.37 |
| Molecular Formula: | C17 H19 N5 O5 |
| Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)n2c(N1)nc(C)n2)C(=O)OCCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5521 |
| logD: | 0.4645 |
| logSw: | -2.2568 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.434 |
| InChI Key: | QCHKLVIUCAPXME-HNNXBMFYSA-N |