N-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-2410 |
| Compound Name: | N-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 301.32 |
| Molecular Formula: | C17 H16 F N O3 |
| Smiles: | Cc1ccc(cc1NC(c1ccc2c(c1)OCCCO2)=O)F |
| Stereo: | ACHIRAL |
| logP: | 2.6724 |
| logD: | 2.6713 |
| logSw: | -2.9146 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.786 |
| InChI Key: | LZVYSQJNTVUKIV-UHFFFAOYSA-N |