N~1~,N~6~-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-2,2,3,3,4,4,5,5-octafluorohexanediamide
Chemical Structure Depiction of
N~1~,N~6~-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-2,2,3,3,4,4,5,5-octafluorohexanediamide
N~1~,N~6~-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-2,2,3,3,4,4,5,5-octafluorohexanediamide
Compound characteristics
| Compound ID: | Y503-0144 |
| Compound Name: | N~1~,N~6~-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-2,2,3,3,4,4,5,5-octafluorohexanediamide |
| Molecular Weight: | 728.68 |
| Molecular Formula: | C28 H28 F8 N6 O4 S2 |
| Smiles: | CCN(CC)C(c1c(C)c(C#N)c(NC(C(C(C(C(C(Nc2c(C#N)c(C)c(C(N(CC)CC)=O)s2)=O)(F)F)(F)F)(F)F)(F)F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5625 |
| logD: | 0.2341 |
| logSw: | -4.4177 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.258 |
| InChI Key: | FJWRGRYBBNNJRM-UHFFFAOYSA-N |