methyl 4-{5-methyl-3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-1H-pyrazol-1-yl}butanoate
Chemical Structure Depiction of
methyl 4-{5-methyl-3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-1H-pyrazol-1-yl}butanoate
methyl 4-{5-methyl-3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-1H-pyrazol-1-yl}butanoate
Compound characteristics
| Compound ID: | 8018-4758 |
| Compound Name: | methyl 4-{5-methyl-3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-1H-pyrazol-1-yl}butanoate |
| Molecular Weight: | 369.38 |
| Molecular Formula: | C19 H19 N3 O5 |
| Smiles: | Cc1cc(NC(C2=Cc3ccccc3OC2=O)=O)nn1CCCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.5665 |
| logD: | -0.2487 |
| logSw: | -2.1674 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.576 |
| InChI Key: | SCCKIQHCBJDKFV-UHFFFAOYSA-N |