N-(4-bromo-3-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(4-bromo-3-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1873 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 362.22 |
| Molecular Formula: | C17 H16 Br N O3 |
| Smiles: | Cc1cc(ccc1[Br])NC(c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7264 |
| logD: | 3.726 |
| logSw: | -4.0436 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.484 |
| InChI Key: | YNALDEXGDIROPC-UHFFFAOYSA-N |