2-(azepan-1-yl)-5-[(3-bromophenyl)methylidene]-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(3-bromophenyl)methylidene]-1,3-thiazol-4(5H)-one
2-(azepan-1-yl)-5-[(3-bromophenyl)methylidene]-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | 8008-8024 |
| Compound Name: | 2-(azepan-1-yl)-5-[(3-bromophenyl)methylidene]-1,3-thiazol-4(5H)-one |
| Molecular Weight: | 365.29 |
| Molecular Formula: | C16 H17 Br N2 O S |
| Smiles: | C1CCCN(CC1)C1=NC(/C(=C/c2cccc(c2)[Br])S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4756 |
| logD: | 4.4756 |
| logSw: | -4.2107 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.9262 |
| InChI Key: | XNRLFVLEOPQBRD-UHFFFAOYSA-N |