2-(benzenesulfonyl)-3-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(2,4,6-trimethylanilino)prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(2,4,6-trimethylanilino)prop-2-enenitrile
2-(benzenesulfonyl)-3-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(2,4,6-trimethylanilino)prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0358 |
| Compound Name: | 2-(benzenesulfonyl)-3-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(2,4,6-trimethylanilino)prop-2-enenitrile |
| Molecular Weight: | 478.63 |
| Molecular Formula: | C26 H26 N2 O3 S2 |
| Smiles: | Cc1cc(C)c(c(C)c1)N/C(=C(/C#N)S(c1ccccc1)(=O)=O)SCc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.6411 |
| logD: | 5.6393 |
| logSw: | -5.5116 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.635 |
| InChI Key: | WPWQFEPRMLDAGD-UHFFFAOYSA-N |