5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(thiophen-2-yl)[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)-2-(thiophen-2-yl)[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)-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 4341-3336 |
| Compound Name: | 5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 539.68 |
| Molecular Formula: | C29 H25 N5 O2 S2 |
| Smiles: | CC(C)CCOc1ccc(cc1)c1c(/C=C2/C(n3c(nc(c4cccs4)n3)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.1101 |
| logD: | 7.1101 |
| logSw: | -5.6788 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.265 |
| InChI Key: | UXSJJCHVDPGPEA-UHFFFAOYSA-N |