6-[(4-methylphenyl)methyl]-2-{[5-(3-nitrophenyl)furan-2-yl]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-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
6-[(4-methylphenyl)methyl]-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Compound characteristics
| Compound ID: | Y070-1563 |
| Compound Name: | 6-[(4-methylphenyl)methyl]-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 472.48 |
| Molecular Formula: | C24 H16 N4 O5 S |
| Smiles: | Cc1ccc(CC2C(N=C3N(C(/C(=C\c4ccc(c5cccc(c5)[N+]([O-])=O)o4)S3)=O)N=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6997 |
| logD: | 4.6997 |
| logSw: | -4.6025 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.503 |
| InChI Key: | ISWYFBIJOKZPHF-UHFFFAOYSA-N |