6-bromo-N-{2-[methoxy(phenyl)acetyl]hydrazinecarbothioyl}-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
6-bromo-N-{2-[methoxy(phenyl)acetyl]hydrazinecarbothioyl}-2-oxo-2H-1-benzopyran-3-carboxamide
6-bromo-N-{2-[methoxy(phenyl)acetyl]hydrazinecarbothioyl}-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8009-5404 |
| Compound Name: | 6-bromo-N-{2-[methoxy(phenyl)acetyl]hydrazinecarbothioyl}-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 490.33 |
| Molecular Formula: | C20 H16 Br N3 O5 S |
| Smiles: | COC(C(NNC(NC(C1=Cc2cc(ccc2OC1=O)[Br])=O)=S)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6515 |
| logD: | 1.0112 |
| logSw: | -3.2216 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.566 |
| InChI Key: | JHCOQAJOPKVREV-MRXNPFEDSA-N |