propan-2-yl 2-(2-bromobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-(2-bromobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-(2-bromobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2043-2796 |
| Compound Name: | propan-2-yl 2-(2-bromobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 436.37 |
| Molecular Formula: | C20 H22 Br N O3 S |
| Smiles: | CC1CCc2c(C(=O)OC(C)C)c(NC(c3ccccc3[Br])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.393 |
| logD: | 0.8187 |
| logSw: | -5.4157 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.477 |
| InChI Key: | IKMNQVMWGGVNPW-GFCCVEGCSA-N |