2-(1,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-6-methoxy-4H-1-benzopyran-4-one
Chemical Structure Depiction of
2-(1,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-6-methoxy-4H-1-benzopyran-4-one
2-(1,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-6-methoxy-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y505-3032 |
| Compound Name: | 2-(1,5-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(cnn1C)C1=C(C(c2cc(ccc2O1)OC)=O)O |
| Stereo: | ACHIRAL |
| logP: | 1.3766 |
| logD: | 0.9165 |
| logSw: | -2.3282 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.379 |
| InChI Key: | XUFFFNDVOKVYNN-UHFFFAOYSA-N |