4-({3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}amino)-4-oxobutanoic acid
Chemical Structure Depiction of
4-({3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}amino)-4-oxobutanoic acid
4-({3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}amino)-4-oxobutanoic acid
Compound characteristics
| Compound ID: | Y205-0166 |
| Compound Name: | 4-({3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}amino)-4-oxobutanoic acid |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C22 H23 N3 O4 |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)Oc2ccccc2)n1)NC(CCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0946 |
| logD: | -0.8548 |
| logSw: | -2.9119 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.406 |
| InChI Key: | WOSIKKOPTJKCLS-UHFFFAOYSA-N |