(2H-1,3-benzodioxol-5-yl)methyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)methyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
(2H-1,3-benzodioxol-5-yl)methyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 3787-5986 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)methyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 427.37 |
| Molecular Formula: | C20 H17 N3 O8 |
| Smiles: | CC1=C(C(c2ccc(c(c2)[N+]([O-])=O)O)NC(N1)=O)C(=O)OCc1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5042 |
| logD: | 1.9429 |
| logSw: | -2.832 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.293 |
| InChI Key: | FPNXIVROYZHXGI-SFHVURJKSA-N |