7-[(3,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
7-[(3,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4H-1-benzopyran-4-one
7-[(3,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y040-4116 |
| Compound Name: | 7-[(3,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 483.35 |
| Molecular Formula: | C26 H20 Cl2 O5 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OCc1ccc(c(c1)[Cl])[Cl])=O)c1ccc2c(c1)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.9214 |
| logD: | 5.9214 |
| logSw: | -6.0889 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.707 |
| InChI Key: | FIGSRTQMNJHPJE-UHFFFAOYSA-N |