{3-[2-(3-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid
Chemical Structure Depiction of
{3-[2-(3-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid
{3-[2-(3-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid
Compound characteristics
| Compound ID: | 6187-2468 |
| Compound Name: | {3-[2-(3-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid |
| Molecular Weight: | 418.43 |
| Molecular Formula: | C21 H14 N4 O4 S |
| Smiles: | Cc1cccc(c1)c1nc2n(C(/C(=C3C(N(CC(O)=O)c4ccccc\34)=O)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.158 |
| logD: | -1.8674 |
| logSw: | -2.8501 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.32 |
| InChI Key: | AJVMLZVZPKVZQL-UHFFFAOYSA-N |