3-[5-(4-ethoxy-3-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-4-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(4-ethoxy-3-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-4-hydroxy-2H-1-benzopyran-2-one
3-[5-(4-ethoxy-3-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-4-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K815-0079 |
| Compound Name: | 3-[5-(4-ethoxy-3-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-4-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C27 H24 N2 O5 |
| Smiles: | CCOc1ccc(cc1OC)C1CC(C2=C(c3ccccc3OC2=O)O)=NN1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5252 |
| logD: | 0.237 |
| logSw: | -4.3536 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.752 |
| InChI Key: | PWWHXXXIFLVSOE-OAQYLSRUSA-N |