ethyl 6-bromo-7-{2-[(3-methylbutyl)amino]-2-oxoethoxy}-2-propanamido-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-bromo-7-{2-[(3-methylbutyl)amino]-2-oxoethoxy}-2-propanamido-1-benzothiophene-3-carboxylate
ethyl 6-bromo-7-{2-[(3-methylbutyl)amino]-2-oxoethoxy}-2-propanamido-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | G117-0508 |
| Compound Name: | ethyl 6-bromo-7-{2-[(3-methylbutyl)amino]-2-oxoethoxy}-2-propanamido-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 499.42 |
| Molecular Formula: | C21 H27 Br N2 O5 S |
| Smiles: | CCC(Nc1c(C(=O)OCC)c2ccc(c(c2s1)OCC(NCCC(C)C)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2895 |
| logD: | 4.271 |
| logSw: | -4.44 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.65 |
| InChI Key: | NZHFGDMEBCKQNB-UHFFFAOYSA-N |