8-methoxy-N-(2-phenoxyethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
8-methoxy-N-(2-phenoxyethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
8-methoxy-N-(2-phenoxyethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0639 |
| Compound Name: | 8-methoxy-N-(2-phenoxyethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 343.38 |
| Molecular Formula: | C19 H21 N O5 |
| Smiles: | COc1cc2c(cc1C(NCCOc1ccccc1)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.0872 |
| logD: | 3.0872 |
| logSw: | -3.3789 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.696 |
| InChI Key: | NKINXRVEEFIORU-UHFFFAOYSA-N |