4-butyl-6-chloro-7-[2-(4-chlorophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-6-chloro-7-[2-(4-chlorophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
4-butyl-6-chloro-7-[2-(4-chlorophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-1704 |
| Compound Name: | 4-butyl-6-chloro-7-[2-(4-chlorophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 405.28 |
| Molecular Formula: | C21 H18 Cl2 O4 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9002 |
| logD: | 5.9002 |
| logSw: | -5.9366 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.207 |
| InChI Key: | KPRJRYBKHAKXSW-UHFFFAOYSA-N |