ethyl 6-ethyl-2-[(7-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-ethyl-2-[(7-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-ethyl-2-[(7-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 7656-0891 |
| Compound Name: | ethyl 6-ethyl-2-[(7-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C24 H27 N O5 S |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(C3Cc4ccc(C)cc4C(=O)O3)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4697 |
| logD: | 2.7462 |
| logSw: | -5.5438 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.622 |
| InChI Key: | QHWQXSGHTBVPTI-UHFFFAOYSA-N |