ethyl 2-[(4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D103-2276 |
| Compound Name: | ethyl 2-[(4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C21 H19 N O5 S |
| Smiles: | [H]N(C(C1=CC(c2ccccc2O1)=O)=O)c1c(C(=O)OCC)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.2089 |
| logD: | 0.2422 |
| logSw: | -4.4755 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.617 |
| InChI Key: | BZSILABQOBCORE-UHFFFAOYSA-N |