N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-fluorobenzamide
Chemical Structure Depiction of
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-fluorobenzamide
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-fluorobenzamide
Compound characteristics
| Compound ID: | J031-1100 |
| Compound Name: | N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-fluorobenzamide |
| Molecular Weight: | 301.32 |
| Molecular Formula: | C17 H16 F N O3 |
| Smiles: | C1COc2ccc(CNC(c3ccccc3F)=O)cc2OC1 |
| Stereo: | ACHIRAL |
| logP: | 2.4891 |
| logD: | 2.4891 |
| logSw: | -3.0196 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.806 |
| InChI Key: | KZTSSJNRZPCJIX-UHFFFAOYSA-N |