5-bromo-1-butyl-3-[2-(3-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of
5-bromo-1-butyl-3-[2-(3-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1,3-dihydro-2H-indol-2-one
5-bromo-1-butyl-3-[2-(3-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1,3-dihydro-2H-indol-2-one
Compound characteristics
| Compound ID: | 6187-2596 |
| Compound Name: | 5-bromo-1-butyl-3-[2-(3-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1,3-dihydro-2H-indol-2-one |
| Molecular Weight: | 495.4 |
| Molecular Formula: | C23 H19 Br N4 O2 S |
| Smiles: | CCCCN1C(C(=C2/C(n3c(nc(c4cccc(C)c4)n3)S2)=O)/c2cc(ccc12)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9294 |
| logD: | 5.9294 |
| logSw: | -5.375 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.915 |
| InChI Key: | QATVXQNUOKSVLF-UHFFFAOYSA-N |