4-butyl-6-chloro-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-6-chloro-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-2H-1-benzopyran-2-one
4-butyl-6-chloro-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-1712 |
| Compound Name: | 4-butyl-6-chloro-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 421.28 |
| Molecular Formula: | C21 H18 Cl2 O5 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCc1cc2c(cc1[Cl])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 6.3736 |
| logD: | 6.3736 |
| logSw: | -6.3039 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.075 |
| InChI Key: | JLFPQTYWSFCUBV-UHFFFAOYSA-N |