5-({3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-({3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-({3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 4341-3165 |
| Compound Name: | 5-({3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 561.71 |
| Molecular Formula: | C33 H31 N5 O2 S |
| Smiles: | CC(C)CCOc1ccc(cc1C)c1c(/C=C2/C(n3c(nc(c4ccc(C)cc4)n3)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 8.4752 |
| logD: | 8.4752 |
| logSw: | -5.647 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.333 |
| InChI Key: | ZSHLNSXHLDMICN-UHFFFAOYSA-N |