methyl 6-methyl-2-[(8-methyl-1-benzoxepine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-methyl-2-[(8-methyl-1-benzoxepine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-methyl-2-[(8-methyl-1-benzoxepine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D547-0231 |
| Compound Name: | methyl 6-methyl-2-[(8-methyl-1-benzoxepine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 409.5 |
| Molecular Formula: | C23 H23 N O4 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(C3C=COc4cc(C)ccc4C=3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8478 |
| logD: | 3.3578 |
| logSw: | -5.5348 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.843 |
| InChI Key: | QGWQHFLBDHBOGM-CQSZACIVSA-N |