3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-7-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-7-methoxy-2H-1-benzopyran-2-one
3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-7-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K222-0524 |
| Compound Name: | 3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-7-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C22 H22 O6 S |
| Smiles: | CC(C)(C)c1ccc(cc1)S(CC(C1=Cc2ccc(cc2OC1=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0718 |
| logD: | 4.0718 |
| logSw: | -4.4147 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.715 |
| InChI Key: | UZEKSWAMVHUHNG-UHFFFAOYSA-N |