2-(1,3-benzothiazol-2-yl)-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-1164 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C29 H24 N4 O S |
| Smiles: | CCCOc1ccc(cc1C)c1c(\C=C(/C#N)c2nc3ccccc3s2)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.5874 |
| logD: | 7.5874 |
| logSw: | -5.8267 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 48.881 |
| InChI Key: | DDDKLJCUZGZLGW-UHFFFAOYSA-N |