2-(4-bromophenyl)-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-bromophenyl)-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-bromophenyl)-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: | 4341-3223 |
| Compound Name: | 2-(4-bromophenyl)-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: | 598.52 |
| Molecular Formula: | C30 H24 Br N5 O2 S |
| Smiles: | CC(C)Oc1ccc(cc1C)c1c(/C=C2/C(n3c(nc(c4ccc(cc4)[Br])n3)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.7435 |
| logD: | 7.7435 |
| logSw: | -5.7536 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.718 |
| InChI Key: | JLXUNHOPSNZLDS-UHFFFAOYSA-N |