N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(thiophen-2-yl)prop-2-enamide
Chemical Structure Depiction of
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(thiophen-2-yl)prop-2-enamide
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(thiophen-2-yl)prop-2-enamide
Compound characteristics
| Compound ID: | Y503-0133 |
| Compound Name: | N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(thiophen-2-yl)prop-2-enamide |
| Molecular Weight: | 384.56 |
| Molecular Formula: | C21 H24 N2 O S2 |
| Smiles: | CCC(C)(C)C1CCc2c(C#N)c(NC(/C=C/c3cccs3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3911 |
| logD: | 4.0474 |
| logSw: | -5.3849 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.906 |
| InChI Key: | JZHARFAGUZBPOZ-CQSZACIVSA-N |