methyl 5-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-propoxy-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 5-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-propoxy-1-benzothiophene-2-carboxylate
methyl 5-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-propoxy-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | L312-0229 |
| Compound Name: | methyl 5-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-propoxy-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 437.47 |
| Molecular Formula: | C23 H19 N O6 S |
| Smiles: | CCCOc1c2cc(ccc2sc1C(=O)OC)NC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6647 |
| logD: | 4.6592 |
| logSw: | -4.4762 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.763 |
| InChI Key: | CCRJYPPDBGWBIS-UHFFFAOYSA-N |