2-(4-methylphenyl)-5-[(3-{3-methyl-4-[(propan-2-yl)oxy]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
2-(4-methylphenyl)-5-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(4-methylphenyl)-5-[(3-{3-methyl-4-[(propan-2-yl)oxy]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: | 4341-3164 |
Compound Name: | 2-(4-methylphenyl)-5-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
Molecular Weight: | 533.65 |
Molecular Formula: | C31 H27 N5 O2 S |
Smiles: | CC(C)Oc1ccc(cc1C)c1c(/C=C2/C(n3c(nc(c4ccc(C)cc4)n3)S2)=O)cn(c2ccccc2)n1 |
Stereo: | ACHIRAL |
logP: | 7.333 |
logD: | 7.333 |
logSw: | -5.6966 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 58.718 |
InChI Key: | JNOMTTVIMYCEMF-UHFFFAOYSA-N |