2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-4H-1-benzopyran-4-one
Chemical Structure Depiction of
2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-4H-1-benzopyran-4-one
2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-4H-1-benzopyran-4-one
Compound characteristics
Compound ID: | Y505-2892 |
Compound Name: | 2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-4H-1-benzopyran-4-one |
Molecular Weight: | 284.31 |
Molecular Formula: | C16 H16 N2 O3 |
Smiles: | CCn1c(C)c(C2=C(C(c3ccccc3O2)=O)O)c(C)n1 |
Stereo: | ACHIRAL |
logP: | 1.4869 |
logD: | 1.0869 |
logSw: | -2.4842 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.627 |
InChI Key: | YENXHECFUZHOBN-UHFFFAOYSA-N |