8-methoxy-N-phenyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
8-methoxy-N-phenyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
8-methoxy-N-phenyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0601 |
| Compound Name: | 8-methoxy-N-phenyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 299.32 |
| Molecular Formula: | C17 H17 N O4 |
| Smiles: | COc1cc2c(cc1C(Nc1ccccc1)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.568 |
| logD: | 2.5679 |
| logSw: | -3.3155 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.114 |
| InChI Key: | XADWJCHVUYDSTP-UHFFFAOYSA-N |