3-({[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}amino)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-({[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}amino)-1lambda~6~-thiolane-1,1-dione
3-({[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}amino)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | 4476-4189 |
| Compound Name: | 3-({[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}amino)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C22 H23 N3 O2 S |
| Smiles: | Cc1ccc(C)c(c1)c1c(/C=N/C2CCS(C2)(=O)=O)cn(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6043 |
| logD: | 3.5683 |
| logSw: | -3.6406 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.483 |
| InChI Key: | XTLNLVPHCZXVRM-QNDYCBLQSA-N |