2-(benzenesulfonyl)-3-(3-chloro-4-methoxyanilino)-3-{[(2-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-(3-chloro-4-methoxyanilino)-3-{[(2-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile
2-(benzenesulfonyl)-3-(3-chloro-4-methoxyanilino)-3-{[(2-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0327 |
| Compound Name: | 2-(benzenesulfonyl)-3-(3-chloro-4-methoxyanilino)-3-{[(2-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile |
| Molecular Weight: | 488.99 |
| Molecular Formula: | C23 H18 Cl F N2 O3 S2 |
| Smiles: | COc1ccc(cc1[Cl])N/C(=C(/C#N)S(c1ccccc1)(=O)=O)SCc1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.7921 |
| logD: | 5.7448 |
| logSw: | -5.9985 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.117 |
| InChI Key: | QYVGGYIIZZIALC-UHFFFAOYSA-N |