5-hydroxy-6-[5-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3,4,7-trimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
5-hydroxy-6-[5-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3,4,7-trimethyl-2H-1-benzopyran-2-one
5-hydroxy-6-[5-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3,4,7-trimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-4763 |
| Compound Name: | 5-hydroxy-6-[5-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3,4,7-trimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C22 H22 N2 O5 |
| Smiles: | CC1=C(C)c2c(cc(C)c(C3CC(c4ccc(c(c4)OC)O)NN=3)c2O)OC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5831 |
| logD: | 3.3368 |
| logSw: | -3.6291 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.138 |
| InChI Key: | UTKWCMYNMXQZJE-CQSZACIVSA-N |