2-{[(5-bromo-2-hydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-{[(5-bromo-2-hydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-{[(5-bromo-2-hydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 1000-0372 |
| Compound Name: | 2-{[(5-bromo-2-hydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 361.26 |
| Molecular Formula: | C16 H13 Br N2 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(/N=C/c1cc(ccc1O)[Br])s2 |
| Stereo: | ACHIRAL |
| logP: | 4.8778 |
| logD: | 4.8666 |
| logSw: | -4.5431 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.685 |
| InChI Key: | RFMGJGDIWVAVCP-UHFFFAOYSA-N |