2-{[(3-methyl-4-phenyl-1H-pyrazol-5-yl)amino]methylidene}-5-(3,4,5-trimethoxyphenyl)cyclohexane-1,3-dione
Chemical Structure Depiction of
2-{[(3-methyl-4-phenyl-1H-pyrazol-5-yl)amino]methylidene}-5-(3,4,5-trimethoxyphenyl)cyclohexane-1,3-dione
2-{[(3-methyl-4-phenyl-1H-pyrazol-5-yl)amino]methylidene}-5-(3,4,5-trimethoxyphenyl)cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | Y020-7373 |
| Compound Name: | 2-{[(3-methyl-4-phenyl-1H-pyrazol-5-yl)amino]methylidene}-5-(3,4,5-trimethoxyphenyl)cyclohexane-1,3-dione |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C26 H27 N3 O5 |
| Smiles: | Cc1c(c2ccccc2)c(NC=C2C(CC(CC2=O)c2cc(c(c(c2)OC)OC)OC)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4382 |
| logD: | 3.0683 |
| logSw: | -3.8961 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.669 |
| InChI Key: | TVJPEBRPKVYODG-UHFFFAOYSA-N |