2-(1,3-benzothiazol-2-yl)-3-{3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-{3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-{3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-1842 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-{3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile |
| Molecular Weight: | 492.66 |
| Molecular Formula: | C29 H24 N4 S2 |
| Smiles: | CCCCSc1ccc(cc1)c1c(\C=C(/C#N)c2nc3ccccc3s2)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.9746 |
| logD: | 7.9746 |
| logSw: | -6.0098 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.376 |
| InChI Key: | MAQJTAMKRJCTSJ-UHFFFAOYSA-N |