methyl 2-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D443-0868 |
| Compound Name: | methyl 2-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 425.5 |
| Molecular Formula: | C23 H23 N O5 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(C3C=COc4ccc(cc4C=3)OC)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2557 |
| logD: | 2.7657 |
| logSw: | -5.3153 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.387 |
| InChI Key: | OWGOYJXRIUGGBN-CYBMUJFWSA-N |