methyl 2-(3-bromobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3-bromobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(3-bromobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3057-0106 |
| Compound Name: | methyl 2-(3-bromobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 408.31 |
| Molecular Formula: | C18 H18 Br N O3 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(c3cccc(c3)[Br])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0401 |
| logD: | 0.5068 |
| logSw: | -4.8488 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.218 |
| InChI Key: | GYFUXDVEDONSAN-SNVBAGLBSA-N |