3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-4H-1-benzopyran-4-one
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 6737-1374 |
| Compound Name: | 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-4H-1-benzopyran-4-one |
| Molecular Weight: | 446.47 |
| Molecular Formula: | C27 H23 F O5 |
| Smiles: | CCc1cc2C(C(=COc2cc1OCc1ccc(cc1)F)c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1334 |
| logD: | 5.1334 |
| logSw: | -5.0983 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.328 |
| InChI Key: | NRKVLBUFRSZMLD-UHFFFAOYSA-N |