5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-(morpholin-4-yl)-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-(morpholin-4-yl)-1,3-thiazol-4(5H)-one
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-(morpholin-4-yl)-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | 8013-0107 |
| Compound Name: | 5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-(morpholin-4-yl)-1,3-thiazol-4(5H)-one |
| Molecular Weight: | 397.24 |
| Molecular Formula: | C15 H13 Br N2 O4 S |
| Smiles: | C1COCCN1C1=NC(/C(=C\c2cc3c(cc2[Br])OCO3)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4773 |
| logD: | 2.4773 |
| logSw: | -2.8635 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.619 |
| InChI Key: | QDNLIJRBWBUCPM-UHFFFAOYSA-N |