7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione
Chemical Structure Depiction of
7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione
7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione
Compound characteristics
| Compound ID: | 8015-8064 |
| Compound Name: | 7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione |
| Molecular Weight: | 316.42 |
| Molecular Formula: | C18 H20 O3 S |
| Smiles: | CC1(C)CC2=C(C(CC(=O)O2)c2ccc(cc2)SC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4181 |
| logD: | 3.4181 |
| logSw: | -3.754 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 33.683 |
| InChI Key: | ZERWEJVJWLMDRC-ZDUSSCGKSA-N |