(6E)-1,3-dimethyl-6-[(4-nitrophenyl)methylidene]-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
(6E)-1,3-dimethyl-6-[(4-nitrophenyl)methylidene]-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
(6E)-1,3-dimethyl-6-[(4-nitrophenyl)methylidene]-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: | 8008-5950 |
| Compound Name: | (6E)-1,3-dimethyl-6-[(4-nitrophenyl)methylidene]-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: | 526.57 |
| Molecular Formula: | C27 H22 N6 O4 S |
| Smiles: | CN1C(N(C)C2(c3ccccc3)C1(c1ccccc1)NN1C(=N2)SC(=C\c2ccc(cc2)[N+]([O-])=O)\C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8464 |
| logD: | 4.8464 |
| logSw: | -4.6333 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.793 |
| InChI Key: | YUWYXVNKMWKBNT-UHFFFAOYSA-N |