2-(benzenesulfonyl)-3-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(2-fluoroanilino)prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(2-fluoroanilino)prop-2-enenitrile
2-(benzenesulfonyl)-3-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(2-fluoroanilino)prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0001 |
| Compound Name: | 2-(benzenesulfonyl)-3-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(2-fluoroanilino)prop-2-enenitrile |
| Molecular Weight: | 480.62 |
| Molecular Formula: | C26 H25 F N2 O2 S2 |
| Smiles: | CC(C)(C)c1ccc(CSC(=C(/C#N)S(c2ccccc2)(=O)=O)\Nc2ccccc2F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.5514 |
| logD: | 6.5177 |
| logSw: | -5.9461 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.789 |
| InChI Key: | YNXXJLHXCTXRDH-UHFFFAOYSA-N |