5-bromo-3-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of
5-bromo-3-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one
5-bromo-3-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one
Compound characteristics
| Compound ID: | 6187-2562 |
| Compound Name: | 5-bromo-3-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one |
| Molecular Weight: | 525.38 |
| Molecular Formula: | C23 H17 Br N4 O4 S |
| Smiles: | COc1ccc(cc1OC)c1nc2n(C(/C(=C3C(N(CC=C)c4ccc(cc\34)[Br])=O)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4049 |
| logD: | 4.4049 |
| logSw: | -4.4295 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.175 |
| InChI Key: | GWXVXCUHBGXZOT-UHFFFAOYSA-N |