6-benzyl-2-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Chemical Structure Depiction of
6-benzyl-2-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
6-benzyl-2-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Compound characteristics
| Compound ID: | 4341-3391 |
| Compound Name: | 6-benzyl-2-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 547.64 |
| Molecular Formula: | C31 H25 N5 O3 S |
| Smiles: | CCOc1ccc(cc1C)c1c(/C=C2/C(N3C(=NC(C(Cc4ccccc4)=N3)=O)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.6535 |
| logD: | 5.6535 |
| logSw: | -5.4731 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.395 |
| InChI Key: | JEVKTNZCMDQFHD-UHFFFAOYSA-N |