N-[(4-fluorophenyl)methyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[(4-fluorophenyl)methyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0643 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 331.34 |
| Molecular Formula: | C18 H18 F N O4 |
| Smiles: | COc1cc2c(cc1C(NCc1ccc(cc1)F)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.7525 |
| logD: | 2.7524 |
| logSw: | -3.1884 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.436 |
| InChI Key: | LXWHWYMQLQLCMV-UHFFFAOYSA-N |