N-(4-methoxy-2,5-dimethylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(4-methoxy-2,5-dimethylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(4-methoxy-2,5-dimethylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0476 |
| Compound Name: | N-(4-methoxy-2,5-dimethylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 327.38 |
| Molecular Formula: | C19 H21 N O4 |
| Smiles: | Cc1cc(c(C)cc1NC(c1ccc2c(c1)OCCCO2)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.966 |
| logD: | 2.966 |
| logSw: | -3.2154 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.416 |
| InChI Key: | WXSSXUZPBYHEMR-UHFFFAOYSA-N |