methyl 1,6-dimethyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1,6-dimethyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 1,6-dimethyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1670-1770 |
| Compound Name: | methyl 1,6-dimethyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 349.3 |
| Molecular Formula: | C15 H15 N3 O7 |
| Smiles: | CC1=C(C(c2cc3c(cc2[N+]([O-])=O)OCO3)NC(N1C)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3461 |
| logD: | 1.3459 |
| logSw: | -2.2397 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.045 |
| InChI Key: | AZBCCXGNYMFLNL-ZDUSSCGKSA-N |