methyl 6-methyl-2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-methyl-2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-methyl-2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2798-0848 |
| Compound Name: | methyl 6-methyl-2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 401.52 |
| Molecular Formula: | C22 H27 N O4 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(COc3ccc(cc3)C(C)C)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5368 |
| logD: | 3.3549 |
| logSw: | -5.6019 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.504 |
| InChI Key: | DVDLKFFBQVJPEQ-CQSZACIVSA-N |