methyl 4-{3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-1H-pyrazol-1-yl}butanoate
Chemical Structure Depiction of
methyl 4-{3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-1H-pyrazol-1-yl}butanoate
methyl 4-{3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-1H-pyrazol-1-yl}butanoate
Compound characteristics
| Compound ID: | 8018-4799 |
| Compound Name: | methyl 4-{3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-1H-pyrazol-1-yl}butanoate |
| Molecular Weight: | 355.35 |
| Molecular Formula: | C18 H17 N3 O5 |
| Smiles: | COC(CCCn1ccc(NC(C2=Cc3ccccc3OC2=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2721 |
| logD: | 0.4662 |
| logSw: | -1.9011 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.036 |
| InChI Key: | NHPQJWLGOLPUFY-UHFFFAOYSA-N |