6-chloro-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one
6-chloro-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y042-0744 |
| Compound Name: | 6-chloro-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 400.81 |
| Molecular Formula: | C21 H17 Cl O6 |
| Smiles: | CC1=CC(=O)Oc2cc(c(cc12)[Cl])OCC(c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6496 |
| logD: | 3.6496 |
| logSw: | -4.1406 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.361 |
| InChI Key: | OGOMRQQOGGHJNQ-UHFFFAOYSA-N |