6-[(4-methylphenyl)methyl]-2-[(3-nitrophenyl)methylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Chemical Structure Depiction of
6-[(4-methylphenyl)methyl]-2-[(3-nitrophenyl)methylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
6-[(4-methylphenyl)methyl]-2-[(3-nitrophenyl)methylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Compound characteristics
| Compound ID: | C451-0242 |
| Compound Name: | 6-[(4-methylphenyl)methyl]-2-[(3-nitrophenyl)methylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C20 H14 N4 O4 S |
| Smiles: | Cc1ccc(CC2C(N=C3N(C(/C(=C\c4cccc(c4)[N+]([O-])=O)S3)=O)N=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3441 |
| logD: | 3.3441 |
| logSw: | -3.5386 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.933 |
| InChI Key: | VHFGCXISWVROLT-UHFFFAOYSA-N |