2-(ethylsulfanyl)ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-(ethylsulfanyl)ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1630-1736 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 457.34 |
| Molecular Formula: | C18 H21 Br N2 O5 S |
| Smiles: | CCSCCOC(C1C(c2cc3c(cc2[Br])OCO3)NC(N(C)C=1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.998 |
| logD: | 2.9979 |
| logSw: | -3.2082 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.838 |
| InChI Key: | UDWBZKZHZDAIPN-INIZCTEOSA-N |