methyl 3-({5-[(butanoyloxy)methyl]-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridine-3-carbonyl}amino)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-({5-[(butanoyloxy)methyl]-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridine-3-carbonyl}amino)thiophene-2-carboxylate
methyl 3-({5-[(butanoyloxy)methyl]-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridine-3-carbonyl}amino)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | G429-0393 |
| Compound Name: | methyl 3-({5-[(butanoyloxy)methyl]-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridine-3-carbonyl}amino)thiophene-2-carboxylate |
| Molecular Weight: | 444.46 |
| Molecular Formula: | C21 H20 N2 O7 S |
| Smiles: | CCCC(=O)OCc1cnc(C)c2c1C=C(C(Nc1ccsc1C(=O)OC)=O)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.8898 |
| logD: | 1.8346 |
| logSw: | -3.3548 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.679 |
| InChI Key: | AYTJWNURPKQKAX-UHFFFAOYSA-N |