3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-7-[(pentafluorophenyl)methoxy]-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-7-[(pentafluorophenyl)methoxy]-4H-1-benzopyran-4-one
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-7-[(pentafluorophenyl)methoxy]-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-2004 |
| Compound Name: | 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-7-[(pentafluorophenyl)methoxy]-4H-1-benzopyran-4-one |
| Molecular Weight: | 504.41 |
| Molecular Formula: | C26 H17 F5 O5 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OCc1c(c(c(c(c1F)F)F)F)F)=O)c1ccc2c(c1)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.351 |
| logD: | 5.351 |
| logSw: | -5.3768 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.707 |
| InChI Key: | SDFSOUSXZFKXBB-UHFFFAOYSA-N |