2-[3-(3,4-dimethoxyphenyl)prop-2-enamido]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-[3-(3,4-dimethoxyphenyl)prop-2-enamido]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[3-(3,4-dimethoxyphenyl)prop-2-enamido]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y500-4882 |
| Compound Name: | 2-[3-(3,4-dimethoxyphenyl)prop-2-enamido]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 456.6 |
| Molecular Formula: | C25 H32 N2 O4 S |
| Smiles: | CCC(C)(C)C1CCc2c(C(N)=O)c(NC(/C=C/c3ccc(c(c3)OC)OC)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9505 |
| logD: | 3.5951 |
| logSw: | -4.3365 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.151 |
| InChI Key: | AZEQDWWMQATVAP-MRXNPFEDSA-N |