6-chloro-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-ethyl-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-ethyl-2H-1-benzopyran-2-one
6-chloro-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-ethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y042-0742 |
| Compound Name: | 6-chloro-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4-ethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 414.84 |
| Molecular Formula: | C22 H19 Cl O6 |
| Smiles: | CCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCC(c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0784 |
| logD: | 4.0784 |
| logSw: | -4.5221 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.361 |
| InChI Key: | YYWQNTILZHGNAB-UHFFFAOYSA-N |