methyl 6-methyl-2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-methyl-2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-methyl-2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6049-1337 |
| Compound Name: | methyl 6-methyl-2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C21 H19 N O5 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(C3=Cc4ccccc4C(=O)O3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1926 |
| logD: | 0.2258 |
| logSw: | -4.5296 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.626 |
| InChI Key: | WIYMNEYXRDVFGL-LLVKDONJSA-N |