N-[(4-fluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[(4-fluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
Compound ID: | J031-0563 |
Compound Name: | N-[(4-fluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
Molecular Weight: | 315.34 |
Molecular Formula: | C18 H18 F N O3 |
Smiles: | Cc1cc2c(cc1C(NCc1ccc(cc1)F)=O)OCCCO2 |
Stereo: | ACHIRAL |
logP: | 2.8694 |
logD: | 2.8693 |
logSw: | -3.1847 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 40.806 |
InChI Key: | OWBSQJIXEWGSNU-UHFFFAOYSA-N |