ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-[(1H-1,2,4-triazol-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-[(1H-1,2,4-triazol-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-[(1H-1,2,4-triazol-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8017-4157 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-[(1H-1,2,4-triazol-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 371.35 |
| Molecular Formula: | C17 H17 N5 O5 |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1Cn1cncn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6099 |
| logD: | 0.3741 |
| logSw: | -1.85 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.144 |
| InChI Key: | OVUCPXJGSIAKGJ-OAHLLOKOSA-N |