ethyl 4-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]benzoate
ethyl 4-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | J031-0635 |
| Compound Name: | ethyl 4-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]benzoate |
| Molecular Weight: | 371.39 |
| Molecular Formula: | C20 H21 N O6 |
| Smiles: | CCOC(c1ccc(cc1)NC(c1cc2c(cc1OC)OCCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3612 |
| logD: | 3.3535 |
| logSw: | -3.561 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.868 |
| InChI Key: | ULUZTPPTBJGBOD-UHFFFAOYSA-N |