(6Z)-6-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e][1,3]thiazolo[3,2-b][1,2,4]triazine-2,7(1H,6H)-dione
Chemical Structure Depiction of
(6Z)-6-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e][1,3]thiazolo[3,2-b][1,2,4]triazine-2,7(1H,6H)-dione
(6Z)-6-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e][1,3]thiazolo[3,2-b][1,2,4]triazine-2,7(1H,6H)-dione
Compound characteristics
| Compound ID: | 8010-0823 |
| Compound Name: | (6Z)-6-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e][1,3]thiazolo[3,2-b][1,2,4]triazine-2,7(1H,6H)-dione |
| Molecular Weight: | 604.48 |
| Molecular Formula: | C28 H22 Br N5 O4 S |
| Smiles: | CN1C(N(C)C2(c3ccccc3)C1(c1ccccc1)NN1C(=N2)SC(=C/c2cc3c(cc2[Br])OCO3)\C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3593 |
| logD: | 5.3593 |
| logSw: | -5.3322 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.527 |
| InChI Key: | LQIIWGUYJZZPTB-UHFFFAOYSA-N |