8-methyl-N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
8-methyl-N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
8-methyl-N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1888 |
| Compound Name: | 8-methyl-N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 311.38 |
| Molecular Formula: | C19 H21 N O3 |
| Smiles: | Cc1ccccc1CNC(c1cc2c(cc1C)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7282 |
| logD: | 3.7282 |
| logSw: | -3.8256 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.806 |
| InChI Key: | NOOQMKAZMIVTLF-UHFFFAOYSA-N |