ethyl 6-methyl-2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-methyl-2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-methyl-2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 7656-0802 |
| Compound Name: | ethyl 6-methyl-2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C22 H21 N O5 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(C1=Cc2ccccc2C(=O)O1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5749 |
| logD: | 0.6081 |
| logSw: | -4.5765 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.205 |
| InChI Key: | PVNIHQKHAXYMQO-GFCCVEGCSA-N |