2-{[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-{[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-{[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 1162-0009 |
| Compound Name: | 2-{[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 440.15 |
| Molecular Formula: | C16 H12 Br2 N2 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(/N=C/c1cc(cc(c1O)[Br])[Br])s2 |
| Stereo: | ACHIRAL |
| logP: | 5.6371 |
| logD: | 5.4755 |
| logSw: | -5.7952 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.616 |
| InChI Key: | REOIEMWVTYTIGF-UHFFFAOYSA-N |