6-benzyl-2-{[(5-bromo-2-hydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
Chemical Structure Depiction of
6-benzyl-2-{[(5-bromo-2-hydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
6-benzyl-2-{[(5-bromo-2-hydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 1718-0003 |
| Compound Name: | 6-benzyl-2-{[(5-bromo-2-hydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile |
| Molecular Weight: | 452.37 |
| Molecular Formula: | C22 H18 Br N3 O S |
| Smiles: | C1CN(Cc2ccccc2)Cc2c1c(C#N)c(/N=C/c1cc(ccc1O)[Br])s2 |
| Stereo: | ACHIRAL |
| logP: | 5.2674 |
| logD: | 5.2563 |
| logSw: | -5.3804 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.159 |
| InChI Key: | MVOXVPMYOSWABT-UHFFFAOYSA-N |