2-{[3-(3-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-[(4-methylphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Chemical Structure Depiction of
2-{[3-(3-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-[(4-methylphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
2-{[3-(3-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-[(4-methylphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Compound characteristics
| Compound ID: | C451-0011 |
| Compound Name: | 2-{[3-(3-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-[(4-methylphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 551.6 |
| Molecular Formula: | C30 H22 F N5 O3 S |
| Smiles: | [H]C(=C1/C(N2C(=NC(C(Cc3ccc(C)cc3)=N2)=O)S1)=O)\c1cn(c2ccccc2)nc1c1ccc(c(c1)F)OC |
| Stereo: | ACHIRAL |
| logP: | 5.3289 |
| logD: | 5.3289 |
| logSw: | -5.2799 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.815 |
| InChI Key: | YVWJXAHAWDFCKT-UHFFFAOYSA-N |