2-(1,3-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-6-methoxy-4H-1-benzopyran-4-one
Chemical Structure Depiction of
2-(1,3-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-6-methoxy-4H-1-benzopyran-4-one
2-(1,3-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-6-methoxy-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y505-3033 |
| Compound Name: | 2-(1,3-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-6-methoxy-4H-1-benzopyran-4-one |
| Molecular Weight: | 286.28 |
| Molecular Formula: | C15 H14 N2 O4 |
| Smiles: | Cc1c(cn(C)n1)C1=C(C(c2cc(ccc2O1)OC)=O)O |
| Stereo: | ACHIRAL |
| logP: | 1.1725 |
| logD: | 0.7123 |
| logSw: | -2.3376 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.055 |
| InChI Key: | UPICNRNSMKSNAW-UHFFFAOYSA-N |