N-[(2-chloro-6-fluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[(2-chloro-6-fluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[(2-chloro-6-fluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0562 |
| Compound Name: | N-[(2-chloro-6-fluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 349.79 |
| Molecular Formula: | C18 H17 Cl F N O3 |
| Smiles: | Cc1cc2c(cc1C(NCc1c(cccc1[Cl])F)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.7389 |
| logD: | 3.7389 |
| logSw: | -4.1651 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.806 |
| InChI Key: | DDIIDAKKQTWVNJ-UHFFFAOYSA-N |