2-(azepan-1-yl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
2-(azepan-1-yl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | 8008-6940 |
| Compound Name: | 2-(azepan-1-yl)-5-[(4-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\c2ccc(cc2)O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0736 |
| logD: | 3.0712 |
| logSw: | -3.1536 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.543 |
| InChI Key: | NKDQHQIUCGSFNK-UHFFFAOYSA-N |