N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
Compound characteristics
| Compound ID: | Y503-0286 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide |
| Molecular Weight: | 438.31 |
| Molecular Formula: | C15 H11 F9 N2 O S |
| Smiles: | CC1CCc2c(C#N)c(NC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4386 |
| logD: | 1.3346 |
| logSw: | -5.35 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.372 |
| InChI Key: | YPWJUYSPRHECOD-ZCFIWIBFSA-N |