2-(methylsulfanyl)ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-(methylsulfanyl)ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-(methylsulfanyl)ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8009-1673 |
| Compound Name: | 2-(methylsulfanyl)ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 429.29 |
| Molecular Formula: | C16 H17 Br N2 O5 S |
| Smiles: | CC1=C(C(c2cc3c(cc2[Br])OCO3)NC(N1)=O)C(=O)OCCSC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0901 |
| logD: | 1.9816 |
| logSw: | -2.8178 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.855 |
| InChI Key: | CBUOVBLYVDWZGQ-AWEZNQCLSA-N |