N-[(2-chlorophenyl)methyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[(2-chlorophenyl)methyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0589 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 347.8 |
| Molecular Formula: | C18 H18 Cl N O4 |
| Smiles: | COc1cc2c(cc1C(NCc1ccccc1[Cl])=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.5055 |
| logD: | 3.5054 |
| logSw: | -3.7173 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.436 |
| InChI Key: | DGMCRVHMMGDPIM-UHFFFAOYSA-N |