3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-6-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-6-methyl-2H-1-benzopyran-2-one
3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-6-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K222-0479 |
| Compound Name: | 3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-6-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C22 H22 O5 S |
| Smiles: | Cc1ccc2c(C=C(C(CS(c3ccc(cc3)C(C)(C)C)(=O)=O)=O)C(=O)O2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3234 |
| logD: | 4.3234 |
| logSw: | -4.4968 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.172 |
| InChI Key: | JAHOWVSLPWEVNL-UHFFFAOYSA-N |