2-cyano-N-[2-(cyclohex-1-en-1-yl)ethyl]-3,3-bis{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
2-cyano-N-[2-(cyclohex-1-en-1-yl)ethyl]-3,3-bis{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enamide
2-cyano-N-[2-(cyclohex-1-en-1-yl)ethyl]-3,3-bis{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0179 |
| Compound Name: | 2-cyano-N-[2-(cyclohex-1-en-1-yl)ethyl]-3,3-bis{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 484.63 |
| Molecular Formula: | C26 H26 F2 N2 O S2 |
| Smiles: | C1CCC(CCNC(C(C#N)=C(SCc2cccc(c2)F)SCc2cccc(c2)F)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 6.2743 |
| logD: | 6.2743 |
| logSw: | -5.9053 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.47 |
| InChI Key: | JVJKQTYTVQULSC-UHFFFAOYSA-N |