2-(azepan-1-yl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
2-(azepan-1-yl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | 8008-3669 |
| Compound Name: | 2-(azepan-1-yl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4(5H)-one |
| Molecular Weight: | 316.42 |
| Molecular Formula: | C17 H20 N2 O2 S |
| Smiles: | COc1ccc(/C=C2/C(N=C(N3CCCCCC3)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6757 |
| logD: | 3.6757 |
| logSw: | -3.8076 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.47 |
| InChI Key: | XVNIREYOHAWVPY-UHFFFAOYSA-N |