6-[(4-methoxyphenyl)methyl]-2-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-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-[(4-methoxyphenyl)methyl]-2-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
6-[(4-methoxyphenyl)methyl]-2-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-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: | C451-0085 |
| Compound Name: | 6-[(4-methoxyphenyl)methyl]-2-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 575.65 |
| Molecular Formula: | C32 H25 N5 O4 S |
| Smiles: | [H]C(=C1/C(N2C(=NC(C(Cc3ccc(cc3)OC)=N2)=O)S1)=O)\c1cn(c2ccccc2)nc1c1ccc2c(CC(C)O2)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2499 |
| logD: | 5.2499 |
| logSw: | -5.0401 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.13 |
| InChI Key: | ZYSHTCGCWLMLBB-LJQANCHMSA-N |