methyl 2-[(8-hydroxy-2-imino-2H-1-benzopyran-3-carbonyl)amino]-5-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(8-hydroxy-2-imino-2H-1-benzopyran-3-carbonyl)amino]-5-phenylthiophene-3-carboxylate
methyl 2-[(8-hydroxy-2-imino-2H-1-benzopyran-3-carbonyl)amino]-5-phenylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y200-5637 |
| Compound Name: | methyl 2-[(8-hydroxy-2-imino-2H-1-benzopyran-3-carbonyl)amino]-5-phenylthiophene-3-carboxylate |
| Molecular Weight: | 420.44 |
| Molecular Formula: | C22 H16 N2 O5 S |
| Smiles: | COC(c1cc(c2ccccc2)sc1NC(C1=Cc2cccc(c2OC1=N)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8611 |
| logD: | 3.1595 |
| logSw: | -3.7021 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.496 |
| InChI Key: | NSEPHEZAIINIAH-UHFFFAOYSA-N |