2-(benzenesulfonyl)-3-(2,5-dimethylanilino)-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-(2,5-dimethylanilino)-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}prop-2-enenitrile
2-(benzenesulfonyl)-3-(2,5-dimethylanilino)-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0340 |
| Compound Name: | 2-(benzenesulfonyl)-3-(2,5-dimethylanilino)-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}prop-2-enenitrile |
| Molecular Weight: | 462.63 |
| Molecular Formula: | C26 H26 N2 O2 S2 |
| Smiles: | Cc1ccc(C)c(CSC(=C(/C#N)S(c2ccccc2)(=O)=O)\Nc2cc(C)ccc2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.5231 |
| logD: | 6.5225 |
| logSw: | -5.718 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.789 |
| InChI Key: | KECXETGXKWYUBW-UHFFFAOYSA-N |