2-(azepan-1-yl)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
2-(azepan-1-yl)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | 8008-3628 |
| Compound Name: | 2-(azepan-1-yl)-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazol-4(5H)-one |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C18 H22 N2 O3 S |
| Smiles: | COc1ccc(\C=C2/C(N=C(N3CCCCCC3)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.2919 |
| logD: | 3.2919 |
| logSw: | -3.4852 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.187 |
| InChI Key: | NYVZRBBHPIUTQS-UHFFFAOYSA-N |