3-chloro-3-[(4-fluoroanilino)sulfanyl]-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-chloro-3-[(4-fluoroanilino)sulfanyl]-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
3-chloro-3-[(4-fluoroanilino)sulfanyl]-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | C301-0351 |
| Compound Name: | 3-chloro-3-[(4-fluoroanilino)sulfanyl]-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one |
| Molecular Weight: | 351.82 |
| Molecular Formula: | C17 H15 Cl F N O2 S |
| Smiles: | CC1(C)C(C(c2ccccc2O1)=O)(SNc1ccc(cc1)F)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.058 |
| logD: | 5.058 |
| logSw: | -5.0379 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.405 |
| InChI Key: | FTDUVVUKCDVXBO-KRWDZBQOSA-N |