3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-methoxy-2-methyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-methoxy-2-methyl-4H-1-benzopyran-4-one
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-methoxy-2-methyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-2005 |
| Compound Name: | 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-methoxy-2-methyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C20 H18 O5 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OC)=O)c1ccc2c(c1)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.1216 |
| logD: | 3.1216 |
| logSw: | -3.2549 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.024 |
| InChI Key: | BWTNLMBOGFJUFL-UHFFFAOYSA-N |