6-hexyl-7-hydroxy-3-(4-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-hexyl-7-hydroxy-3-(4-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
6-hexyl-7-hydroxy-3-(4-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0256 |
| Compound Name: | 6-hexyl-7-hydroxy-3-(4-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 400.49 |
| Molecular Formula: | C22 H24 O5 S |
| Smiles: | CCCCCCc1cc2C=C(C(=O)Oc2cc1O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5034 |
| logD: | 5.4898 |
| logSw: | -5.0047 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.209 |
| InChI Key: | MTDNAJKLNBSOFO-UHFFFAOYSA-N |