methyl 2-[(8-methoxy-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(8-methoxy-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4-phenylthiophene-3-carboxylate
methyl 2-[(8-methoxy-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4-phenylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y200-2168 |
| Compound Name: | methyl 2-[(8-methoxy-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4-phenylthiophene-3-carboxylate |
| Molecular Weight: | 435.45 |
| Molecular Formula: | C23 H17 N O6 S |
| Smiles: | COC(c1c(csc1NC(C1=Cc2cccc(c2OC1=O)OC)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9849 |
| logD: | 2.6407 |
| logSw: | -4.5292 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.263 |
| InChI Key: | UKUPHOZPKKFEMI-UHFFFAOYSA-N |