2-(1,3-benzothiazol-2-yl)-3-(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-1141 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)prop-2-enenitrile |
| Molecular Weight: | 460.56 |
| Molecular Formula: | C28 H20 N4 O S |
| Smiles: | C=CCOc1ccc(cc1)c1c(\C=C(/C#N)c2nc3ccccc3s2)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.4991 |
| logD: | 6.4991 |
| logSw: | -6.3372 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 48.794 |
| InChI Key: | QFBKRJQKUCOISZ-UHFFFAOYSA-N |