5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
Compound ID: | 4341-3124 |
Compound Name: | 5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
Molecular Weight: | 457.55 |
Molecular Formula: | C25 H23 N5 O2 S |
Smiles: | CC(C)CCOc1ccc(cc1)c1c(/C=C2/C(n3c(ncn3)S2)=O)cn(c2ccccc2)n1 |
Stereo: | ACHIRAL |
logP: | 5.2052 |
logD: | 5.2052 |
logSw: | -4.9652 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 60.459 |
InChI Key: | HLYSCKAESFWOCW-UHFFFAOYSA-N |