3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-8-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-8-methyl-2H-1-benzopyran-2-one
3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-8-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K222-0449 |
| Compound Name: | 3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-8-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C22 H22 O5 S |
| Smiles: | Cc1cccc2C=C(C(CS(c3ccc(cc3)C(C)(C)C)(=O)=O)=O)C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.5452 |
| logD: | 4.5452 |
| logSw: | -4.6151 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.856 |
| InChI Key: | XQEZXVRMDKNNRN-UHFFFAOYSA-N |