methyl 2-(3-bromo-4-methoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3-bromo-4-methoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(3-bromo-4-methoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4275-1825 |
| Compound Name: | methyl 2-(3-bromo-4-methoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 424.31 |
| Molecular Formula: | C18 H18 Br N O4 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(c1ccc(c(c1)[Br])OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3952 |
| logD: | 0.1659 |
| logSw: | -4.5665 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.849 |
| InChI Key: | SKGCMOZKKVNJMA-UHFFFAOYSA-N |