methyl 6-(2-methylbutan-2-yl)-2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-(2-methylbutan-2-yl)-2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-(2-methylbutan-2-yl)-2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-2085 |
| Compound Name: | methyl 6-(2-methylbutan-2-yl)-2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C25 H27 N O5 S |
| Smiles: | CCC(C)(C)C1CCc2c(C(=O)OC)c(NC(C3=Cc4ccccc4OC3=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0798 |
| logD: | 0.1372 |
| logSw: | -4.9865 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.14 |
| InChI Key: | ILSVGQXMXMLTNY-OAHLLOKOSA-N |