3-({[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}amino)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-({[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}amino)-1lambda~6~-thiolane-1,1-dione
3-({[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}amino)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | 4428-0059 |
| Compound Name: | 3-({[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}amino)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 444.35 |
| Molecular Formula: | C20 H18 Br N3 O2 S |
| Smiles: | C1CS(CC1/N=C/c1cn(c2ccccc2)nc1c1ccc(cc1)[Br])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5512 |
| logD: | 3.5432 |
| logSw: | -3.6076 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.483 |
| InChI Key: | MVLMCFKBIXHUTR-SFHVURJKSA-N |