N-(4-bromo-3-methylphenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(4-bromo-3-methylphenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1973 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 392.25 |
| Molecular Formula: | C18 H18 Br N O4 |
| Smiles: | Cc1cc(ccc1[Br])NC(c1cc2c(cc1OC)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9343 |
| logD: | 3.9279 |
| logSw: | -4.0963 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.114 |
| InChI Key: | HCULWOVVLVXNAK-UHFFFAOYSA-N |