N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2,5-dimethylfuran-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2,5-dimethylfuran-3-carboxamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2,5-dimethylfuran-3-carboxamide
Compound characteristics
| Compound ID: | Y206-8458 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2,5-dimethylfuran-3-carboxamide |
| Molecular Weight: | 314.4 |
| Molecular Formula: | C17 H18 N2 O2 S |
| Smiles: | Cc1cc(C(Nc2c(C#N)c3CCCCCc3s2)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.0344 |
| logD: | 2.0526 |
| logSw: | -4.2008 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.179 |
| InChI Key: | JHMQQEAXNSTTAC-UHFFFAOYSA-N |