3-({[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}amino)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-({[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}amino)-1lambda~6~-thiolane-1,1-dione
3-({[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}amino)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | 4428-0061 |
| Compound Name: | 3-({[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}amino)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 474.37 |
| Molecular Formula: | C21 H20 Br N3 O3 S |
| Smiles: | COc1ccc(cc1[Br])c1c(/C=N/C2CCS(C2)(=O)=O)cn(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4418 |
| logD: | 3.4338 |
| logSw: | -3.6943 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.113 |
| InChI Key: | PBGUOGPNEYBMAX-KRWDZBQOSA-N |