3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-ethoxy-2-methyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-ethoxy-2-methyl-4H-1-benzopyran-4-one
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-ethoxy-2-methyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-2006 |
| Compound Name: | 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-ethoxy-2-methyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C21 H20 O5 |
| Smiles: | CCOc1ccc2C(C(=C(C)Oc2c1)c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.509 |
| logD: | 3.509 |
| logSw: | -3.6505 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.603 |
| InChI Key: | LMBHKAWZFQGFAN-UHFFFAOYSA-N |