2-(azepan-1-yl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
2-(azepan-1-yl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | 8007-6513 |
| Compound Name: | 2-(azepan-1-yl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazol-4(5H)-one |
| Molecular Weight: | 302.39 |
| Molecular Formula: | C16 H18 N2 O2 S |
| Smiles: | C1CCCN(CC1)C1=NC(/C(=C\c2ccccc2O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5246 |
| logD: | 3.4598 |
| logSw: | -3.2859 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.474 |
| InChI Key: | DHDPQLHDIHKBLD-UHFFFAOYSA-N |