N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-[4-(propan-2-yl)phenyl]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-[4-(propan-2-yl)phenyl]prop-2-enamide
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-[4-(propan-2-yl)phenyl]prop-2-enamide
Compound characteristics
| Compound ID: | Y503-0796 |
| Compound Name: | N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-[4-(propan-2-yl)phenyl]prop-2-enamide |
| Molecular Weight: | 420.62 |
| Molecular Formula: | C26 H32 N2 O S |
| Smiles: | CCC(C)(C)C1CCc2c(C#N)c(NC(/C=C/c3ccc(cc3)C(C)C)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2656 |
| logD: | 6.0921 |
| logSw: | -5.6927 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.887 |
| InChI Key: | RURZGWYAQALKDU-HXUWFJFHSA-N |