methyl 2-acetamido-6-bromo-7-{[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]oxy}-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-acetamido-6-bromo-7-{[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]oxy}-1-benzothiophene-3-carboxylate
methyl 2-acetamido-6-bromo-7-{[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]oxy}-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L068-0724 |
| Compound Name: | methyl 2-acetamido-6-bromo-7-{[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]oxy}-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 519.41 |
| Molecular Formula: | C23 H23 Br N2 O5 S |
| Smiles: | CC(C(Nc1c(C)cccc1C)=O)Oc1c(ccc2c(C(=O)OC)c(NC(C)=O)sc12)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6179 |
| logD: | 4.6075 |
| logSw: | -4.643 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.855 |
| InChI Key: | YEFSKHWQRGAWIP-ZDUSSCGKSA-N |