N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1837 |
| Compound Name: | N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 297.35 |
| Molecular Formula: | C18 H19 N O3 |
| Smiles: | Cc1ccc(CNC(c2ccc3c(c2)OCCCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6411 |
| logD: | 2.6411 |
| logSw: | -2.9542 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.806 |
| InChI Key: | WIIBLPVHTQAECD-UHFFFAOYSA-N |