5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 4341-3197 |
| Compound Name: | 5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 554.07 |
| Molecular Formula: | C30 H24 Cl N5 O2 S |
| Smiles: | CCCCOc1ccc(cc1)c1c(/C=C2/C(n3c(nc(c4ccc(cc4)[Cl])n3)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.7144 |
| logD: | 7.7144 |
| logSw: | -6.4356 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.246 |
| InChI Key: | JHWRHQKTGUWIFO-UHFFFAOYSA-N |