5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-ethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-ethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-ethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5310-5106 |
| Compound Name: | 5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-ethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 551.62 |
| Molecular Formula: | C30 H25 N5 O4 S |
| Smiles: | CCOc1ccc(cc1)c1nc2n(C(/C(=C/c3cn(c4ccccc4)nc3c3ccc(c(c3)OC)OC)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7671 |
| logD: | 5.7671 |
| logSw: | -5.4592 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.213 |
| InChI Key: | DEDSBIWNRDEDRQ-UHFFFAOYSA-N |