3-chloro-3-[(2-fluoro-4-methylanilino)sulfanyl]-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-chloro-3-[(2-fluoro-4-methylanilino)sulfanyl]-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
3-chloro-3-[(2-fluoro-4-methylanilino)sulfanyl]-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | C301-0345 |
| Compound Name: | 3-chloro-3-[(2-fluoro-4-methylanilino)sulfanyl]-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one |
| Molecular Weight: | 365.85 |
| Molecular Formula: | C18 H17 Cl F N O2 S |
| Smiles: | Cc1ccc(c(c1)F)NSC1(C(c2ccccc2OC1(C)C)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5876 |
| logD: | 5.5876 |
| logSw: | -5.8899 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.708 |
| InChI Key: | WEFPYWBCPBNMPB-SFHVURJKSA-N |