3-[(2-{(E)-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]amino}phenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
Chemical Structure Depiction of
3-[(2-{(E)-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]amino}phenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
3-[(2-{(E)-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]amino}phenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y501-7645 |
| Compound Name: | 3-[(2-{(E)-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]amino}phenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C22 H28 N4 O3 |
| Smiles: | Cc1c(/C=N/c2ccccc2NC(C2CCC(C)(C(O)=O)C2(C)C)=O)cn(C)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3839 |
| logD: | 0.3513 |
| logSw: | -2.6101 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.19 |
| InChI Key: | IBJCDXKRRNMNMA-UHFFFAOYSA-N |