ethyl 2-[(7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D103-1796 |
| Compound Name: | ethyl 2-[(7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 425.5 |
| Molecular Formula: | C23 H23 N O5 S |
| Smiles: | [H]N(C(C1=CC(c2ccc(C)c(C)c2O1)=O)=O)c1c(C(=O)OCC)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2822 |
| logD: | 2.035 |
| logSw: | -5.2652 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.301 |
| InChI Key: | AMKRBHVASPWPLA-UHFFFAOYSA-N |