2-{[(2-hydroxynaphthalen-1-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-{[(2-hydroxynaphthalen-1-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-{[(2-hydroxynaphthalen-1-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 0848-0155 |
| Compound Name: | 2-{[(2-hydroxynaphthalen-1-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C20 H16 N2 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(/N=C/c1c(ccc3ccccc13)O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.0694 |
| logD: | 5.0616 |
| logSw: | -5.5655 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.414 |
| InChI Key: | PGNHOGXLZUATQT-UHFFFAOYSA-N |