methyl 2-(2-bromobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-bromobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(2-bromobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4478-3781 |
| Compound Name: | methyl 2-(2-bromobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 394.28 |
| Molecular Formula: | C17 H16 Br N O3 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(c1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0665 |
| logD: | -0.5078 |
| logSw: | -4.4787 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.218 |
| InChI Key: | FSFANEFWPOTGPL-UHFFFAOYSA-N |