2-[5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
Chemical Structure Depiction of
2-[5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
2-[5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
Compound characteristics
| Compound ID: | 4341-3296 |
| Compound Name: | 2-[5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate |
| Molecular Weight: | 591.69 |
| Molecular Formula: | C33 H29 N5 O4 S |
| Smiles: | CC(C)CCOc1ccc(cc1)c1c(/C=C2/C(n3c(nc(c4ccccc4OC(C)=O)n3)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.6975 |
| logD: | 6.6975 |
| logSw: | -5.6066 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.084 |
| InChI Key: | XHMFWJSGJJWIHF-UHFFFAOYSA-N |