N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
Chemical Structure Depiction of
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y500-1072 |
| Compound Name: | N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide |
| Molecular Weight: | 342.46 |
| Molecular Formula: | C19 H22 N2 O2 S |
| Smiles: | CCC(C)(C)C1CCc2c(C#N)c(NC(c3ccco3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4154 |
| logD: | 2.2569 |
| logSw: | -4.3223 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.679 |
| InChI Key: | DIEZAPPUKZHQSI-GFCCVEGCSA-N |