8-chloro-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-chloro-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-chloro-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y042-0804 |
| Compound Name: | 8-chloro-7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 426.85 |
| Molecular Formula: | C23 H19 Cl O6 |
| Smiles: | C1CC2=C(C1)c1cc(c(cc1OC2=O)OCC(c1ccc2c(c1)OCCCO2)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.059 |
| logD: | 4.059 |
| logSw: | -4.5224 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.162 |
| InChI Key: | SHJPEJAWCDXTJC-UHFFFAOYSA-N |