2-(azepan-1-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
2-(azepan-1-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | 8008-3615 |
| Compound Name: | 2-(azepan-1-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazol-4(5H)-one |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C17 H20 N2 O3 S |
| Smiles: | COc1cc(\C=C2/C(N=C(N3CCCCCC3)S2)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 2.8751 |
| logD: | 2.8702 |
| logSw: | -2.9423 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.105 |
| InChI Key: | RYEAJPWCDXUMNK-UHFFFAOYSA-N |