2-{[(2-hydroxy-5-methoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-{[(2-hydroxy-5-methoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-{[(2-hydroxy-5-methoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8005-8463 |
| Compound Name: | 2-{[(2-hydroxy-5-methoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 312.39 |
| Molecular Formula: | C17 H16 N2 O2 S |
| Smiles: | COc1ccc(c(/C=N/c2c(C#N)c3CCCCc3s2)c1)O |
| Stereo: | ACHIRAL |
| logP: | 4.143 |
| logD: | 4.1421 |
| logSw: | -4.1593 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.229 |
| InChI Key: | DJMTWAUUYQDWRI-UHFFFAOYSA-N |