ethyl 2-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | J031-0467 |
| Compound Name: | ethyl 2-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C21 H23 N O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1ccc2c(c1)OCCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6705 |
| logD: | 0.9466 |
| logSw: | -4.1973 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.952 |
| InChI Key: | ZYDPIBGDJOFOAI-UHFFFAOYSA-N |