N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | Y503-0130 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide |
| Molecular Weight: | 500.33 |
| Molecular Formula: | C17 H11 F11 N2 O S |
| Smiles: | CC1CCc2c(C#N)c(NC(C3(C(C(C(C(C3(F)F)(F)F)(F)F)(F)F)(F)F)F)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6767 |
| logD: | 2.5307 |
| logSw: | -5.4315 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.293 |
| InChI Key: | UFMDVTYRUZEINC-ZCFIWIBFSA-N |