methyl 2-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0755 |
| Compound Name: | methyl 2-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 455.57 |
| Molecular Formula: | C25 H29 N O5 S |
| Smiles: | CCC(C)(C)C1CCc2c(C(=O)OC)c(NC(/C=C/c3ccc4c(c3)OCO4)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0116 |
| logD: | 3.8352 |
| logSw: | -5.5816 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.12 |
| InChI Key: | UUPVIYVABDJRPH-MRXNPFEDSA-N |