N-benzyl-3,3-bis{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyanoprop-2-enamide
Chemical Structure Depiction of
N-benzyl-3,3-bis{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyanoprop-2-enamide
N-benzyl-3,3-bis{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyanoprop-2-enamide
Compound characteristics
| Compound ID: | K291-0068 |
| Compound Name: | N-benzyl-3,3-bis{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyanoprop-2-enamide |
| Molecular Weight: | 535.46 |
| Molecular Formula: | C25 H18 Cl2 F2 N2 O S2 |
| Smiles: | C(c1ccccc1)NC(C(C#N)=C(SCc1c(cccc1[Cl])F)SCc1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2242 |
| logD: | 7.219 |
| logSw: | -6.4707 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.436 |
| InChI Key: | TWEPFFHAFCBACB-UHFFFAOYSA-N |