8-chloro-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-chloro-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-chloro-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-1254 |
| Compound Name: | 8-chloro-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 405.23 |
| Molecular Formula: | C20 H14 Cl2 O5 |
| Smiles: | C1CC2=C(C1)c1cc(c(cc1OC2=O)OCc1cc2c(cc1[Cl])OCO2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3611 |
| logD: | 5.3611 |
| logSw: | -6.0911 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.876 |
| InChI Key: | LTNWVYQBGHWGGF-UHFFFAOYSA-N |