2-{[(3,5-dichloro-2-hydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-{[(3,5-dichloro-2-hydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-{[(3,5-dichloro-2-hydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-2651 |
| Compound Name: | 2-{[(3,5-dichloro-2-hydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 351.25 |
| Molecular Formula: | C16 H12 Cl2 N2 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(/N=C/c1cc(cc(c1O)[Cl])[Cl])s2 |
| Stereo: | ACHIRAL |
| logP: | 5.4644 |
| logD: | 5.2971 |
| logSw: | -5.8299 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.616 |
| InChI Key: | KHWNAJMRMRZOLM-UHFFFAOYSA-N |