N-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0442 |
| Compound Name: | N-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 297.35 |
| Molecular Formula: | C18 H19 N O3 |
| Smiles: | Cc1ccc(c(C)c1)NC(c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2327 |
| logD: | 3.2326 |
| logSw: | -3.1432 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.786 |
| InChI Key: | ILQYIJFCBSJQMP-UHFFFAOYSA-N |