2-(azepan-1-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
2-(azepan-1-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | 8010-7800 |
| Compound Name: | 2-(azepan-1-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4(5H)-one |
| Molecular Weight: | 376.47 |
| Molecular Formula: | C19 H24 N2 O4 S |
| Smiles: | COc1cc(\C=C2/C(N=C(N3CCCCCC3)S2)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4424 |
| logD: | 3.4424 |
| logSw: | -3.7514 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.904 |
| InChI Key: | OHVAIHPVLHIYLX-UHFFFAOYSA-N |