3-(3,4-dimethoxybenzene-1-sulfonyl)-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3,4-dimethoxybenzene-1-sulfonyl)-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
3-(3,4-dimethoxybenzene-1-sulfonyl)-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0193 |
| Compound Name: | 3-(3,4-dimethoxybenzene-1-sulfonyl)-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C23 H26 O7 S |
| Smiles: | CCCCCCc1cc2C=C(C(=O)Oc2cc1O)S(c1ccc(c(c1)OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5505 |
| logD: | 4.5368 |
| logSw: | -4.2725 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.47 |
| InChI Key: | XRPFHQLGLOCONQ-UHFFFAOYSA-N |