2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Chemical Structure Depiction of
2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Compound characteristics
| Compound ID: | 5629-1053 |
| Compound Name: | 2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 444.42 |
| Molecular Formula: | C22 H12 N4 O5 S |
| Smiles: | [H]C(=C1/C(N2C(=NC(C(c3ccccc3)=N2)=O)S1)=O)\c1ccc(c2cccc(c2)[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.143 |
| logD: | 4.143 |
| logSw: | -4.5035 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.6 |
| InChI Key: | YBOUPPSQCZCALH-UHFFFAOYSA-N |