2-{[(3-phenyl-1H-pyrazol-4-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-{[(3-phenyl-1H-pyrazol-4-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-{[(3-phenyl-1H-pyrazol-4-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-2220 |
| Compound Name: | 2-{[(3-phenyl-1H-pyrazol-4-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 332.43 |
| Molecular Formula: | C19 H16 N4 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(/N=C/c1c[nH]nc1c1ccccc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.2989 |
| logD: | 4.2989 |
| logSw: | -4.5497 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.327 |
| InChI Key: | KFIRXJJUGJRCSR-UHFFFAOYSA-N |