3-(3-chloro-4-fluorobenzene-1-sulfonyl)-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3-chloro-4-fluorobenzene-1-sulfonyl)-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
3-(3-chloro-4-fluorobenzene-1-sulfonyl)-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0216 |
| Compound Name: | 3-(3-chloro-4-fluorobenzene-1-sulfonyl)-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 438.9 |
| Molecular Formula: | C21 H20 Cl F O5 S |
| Smiles: | CCCCCCc1cc2C=C(C(=O)Oc2cc1O)S(c1ccc(c(c1)[Cl])F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4402 |
| logD: | 5.4266 |
| logSw: | -5.3756 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.209 |
| InChI Key: | HRLXHPNUQCDUBH-UHFFFAOYSA-N |