pentyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
pentyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
pentyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 2406-3714 |
| Compound Name: | pentyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 425.28 |
| Molecular Formula: | C18 H21 Br N2 O5 |
| Smiles: | CCCCCOC(C1C(c2cc3c(cc2[Br])OCO3)NC(NC=1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5605 |
| logD: | 3.452 |
| logSw: | -3.53 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.855 |
| InChI Key: | KUWYBCSJBRGXNI-INIZCTEOSA-N |