N-{2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-2-phenylacetamide
Chemical Structure Depiction of
N-{2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-2-phenylacetamide
N-{2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-2-phenylacetamide
Compound characteristics
| Compound ID: | 8014-6044 |
| Compound Name: | N-{2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-2-phenylacetamide |
| Molecular Weight: | 475.45 |
| Molecular Formula: | C21 H19 F6 N3 O S |
| Smiles: | C1CCc2c(C#N)c(NC(C(F)(F)F)(C(F)(F)F)NC(Cc3ccccc3)=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.6294 |
| logD: | 1.505 |
| logSw: | -5.6838 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.416 |
| InChI Key: | XTOQXYWRADJNRV-UHFFFAOYSA-N |