ethyl 6-ethyl-2-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-ethyl-2-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-ethyl-2-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D443-0856 |
| Compound Name: | ethyl 6-ethyl-2-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C25 H27 N O5 S |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(C3C=COc4ccc(cc4C=3)OC)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1835 |
| logD: | 3.6935 |
| logSw: | -5.651 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.967 |
| InChI Key: | XKBWSMWFCVKNMZ-OAHLLOKOSA-N |