N-(3-chloro-4-fluorophenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(3-chloro-4-fluorophenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1954 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 351.76 |
| Molecular Formula: | C17 H15 Cl F N O4 |
| Smiles: | COc1cc2c(cc1C(Nc1ccc(c(c1)[Cl])F)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.4899 |
| logD: | 3.0548 |
| logSw: | -3.821 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.114 |
| InChI Key: | QWIMZYNYSNJKSR-UHFFFAOYSA-N |