methyl 6-tert-butyl-2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-tert-butyl-2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-tert-butyl-2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6049-1100 |
| Compound Name: | methyl 6-tert-butyl-2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C24 H25 N O5 S |
| Smiles: | CC(C)(C)C1CCc2c(C(=O)OC)c(NC(C3=Cc4ccccc4C(=O)O3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3159 |
| logD: | 1.3491 |
| logSw: | -5.3665 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.626 |
| InChI Key: | DLABSXUPCLYJJA-CQSZACIVSA-N |