N-[4-chloro-3-(trifluoromethyl)phenyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1941 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 401.77 |
| Molecular Formula: | C18 H15 Cl F3 N O4 |
| Smiles: | COc1cc2c(cc1C(Nc1ccc(c(c1)C(F)(F)F)[Cl])=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.367 |
| logD: | 3.5347 |
| logSw: | -4.6161 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.114 |
| InChI Key: | WFWSNANXHKXDOQ-UHFFFAOYSA-N |