(2H-1,3-benzodioxol-5-yl)methyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)methyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
(2H-1,3-benzodioxol-5-yl)methyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 2326-3206 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)methyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 411.37 |
| Molecular Formula: | C20 H17 N3 O7 |
| Smiles: | CC1=C(C(c2ccc(cc2)[N+]([O-])=O)NC(N1)=O)C(=O)OCc1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4657 |
| logD: | 2.3764 |
| logSw: | -3.0589 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.046 |
| InChI Key: | FFKHUXRZDMVHLC-SFHVURJKSA-N |