N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)prop-2-enamide
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y501-4339 |
| Compound Name: | N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide |
| Molecular Weight: | 438.59 |
| Molecular Formula: | C25 H30 N2 O3 S |
| Smiles: | CCC(C)(C)C1CCc2c(C#N)c(NC(/C=C/c3ccc(c(c3)OC)OC)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6334 |
| logD: | 4.4598 |
| logSw: | -5.5027 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.148 |
| InChI Key: | AEUQPGDABIMYAX-QGZVFWFLSA-N |