(6Z)-1,3-dimethyl-6-[(2Z)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]-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)-1,3-dimethyl-6-[(2Z)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]-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)-1,3-dimethyl-6-[(2Z)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]-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: | 8010-0822 |
| Compound Name: | (6Z)-1,3-dimethyl-6-[(2Z)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]-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: | 542.57 |
| Molecular Formula: | C27 H22 N6 O5 S |
| Smiles: | CN1C(N(C)C2(c3ccccc3)C1(c1ccccc1)NN1C(=N2)SC(=C/C=C\c2ccc([N+]([O-])=O)o2)\C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2868 |
| logD: | 4.2868 |
| logSw: | -4.3311 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.242 |
| InChI Key: | AOODZAXTWUHYTR-UHFFFAOYSA-N |