N-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0482 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 301.32 |
| Molecular Formula: | C17 H16 F N O3 |
| Smiles: | C1COc2ccc(cc2OC1)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2468 |
| logD: | 2.2468 |
| logSw: | -2.784 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.806 |
| InChI Key: | HLHDTDGAEPFTQC-UHFFFAOYSA-N |