2-(benzenesulfonyl)-3-(4-bromoanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-(4-bromoanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enenitrile
2-(benzenesulfonyl)-3-(4-bromoanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0193 |
| Compound Name: | 2-(benzenesulfonyl)-3-(4-bromoanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enenitrile |
| Molecular Weight: | 499.45 |
| Molecular Formula: | C23 H19 Br N2 O2 S2 |
| Smiles: | Cc1ccccc1CSC(=C(/C#N)S(c1ccccc1)(=O)=O)\Nc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.629 |
| logD: | 6.6013 |
| logSw: | -5.8979 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.487 |
| InChI Key: | OEBUIPAJCWQWPH-UHFFFAOYSA-N |