2-(benzenesulfonyl)-3-(2,6-diethylanilino)-3-{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-(2,6-diethylanilino)-3-{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile
2-(benzenesulfonyl)-3-(2,6-diethylanilino)-3-{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0256 |
| Compound Name: | 2-(benzenesulfonyl)-3-(2,6-diethylanilino)-3-{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile |
| Molecular Weight: | 480.62 |
| Molecular Formula: | C26 H25 F N2 O2 S2 |
| Smiles: | CCc1cccc(CC)c1N/C(=C(/C#N)S(c1ccccc1)(=O)=O)SCc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 6.2565 |
| logD: | 6.2563 |
| logSw: | -5.6685 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.091 |
| InChI Key: | LNJDPNUEXAAGFA-UHFFFAOYSA-N |