N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0440 |
| Compound Name: | N-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 283.32 |
| Molecular Formula: | C17 H17 N O3 |
| Smiles: | Cc1ccc(cc1)NC(c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9752 |
| logD: | 2.9752 |
| logSw: | -3.2916 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.484 |
| InChI Key: | DTWMJKOSTWWUFQ-UHFFFAOYSA-N |