ethyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D443-0703 |
| Compound Name: | ethyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 488 |
| Molecular Formula: | C25 H26 Cl N O5 S |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(C3C=COc4c(C=3)cc(cc4OC)[Cl])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7637 |
| logD: | 4.2738 |
| logSw: | -6.7238 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.738 |
| InChI Key: | DYGAHPLYUIWMKT-CQSZACIVSA-N |