2-(benzenesulfonyl)-3-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(3-chloroanilino)prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(3-chloroanilino)prop-2-enenitrile
2-(benzenesulfonyl)-3-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(3-chloroanilino)prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0314 |
| Compound Name: | 2-(benzenesulfonyl)-3-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(3-chloroanilino)prop-2-enenitrile |
| Molecular Weight: | 497.08 |
| Molecular Formula: | C26 H25 Cl N2 O2 S2 |
| Smiles: | CC(C)(C)c1ccc(CSC(=C(/C#N)S(c2ccccc2)(=O)=O)\Nc2cccc(c2)[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.2654 |
| logD: | 7.2322 |
| logSw: | -6.4488 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.487 |
| InChI Key: | SOTMFBBMCWCNJG-UHFFFAOYSA-N |