ethyl 4-(3-nitrophenyl)-2-oxo-6-[(1H-1,2,4-triazol-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-nitrophenyl)-2-oxo-6-[(1H-1,2,4-triazol-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(3-nitrophenyl)-2-oxo-6-[(1H-1,2,4-triazol-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8017-3673 |
| Compound Name: | ethyl 4-(3-nitrophenyl)-2-oxo-6-[(1H-1,2,4-triazol-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 372.34 |
| Molecular Formula: | C16 H16 N6 O5 |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)NC(NC=1Cn1cncn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5214 |
| logD: | 0.2857 |
| logSw: | -2.0915 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.41 |
| InChI Key: | SWJJHZXKSIXIKD-AWEZNQCLSA-N |