5-bromo-3-[2-(4-tert-butylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1-methyl-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of
5-bromo-3-[2-(4-tert-butylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1-methyl-1,3-dihydro-2H-indol-2-one
5-bromo-3-[2-(4-tert-butylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1-methyl-1,3-dihydro-2H-indol-2-one
Compound characteristics
| Compound ID: | 5629-1336 |
| Compound Name: | 5-bromo-3-[2-(4-tert-butylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1-methyl-1,3-dihydro-2H-indol-2-one |
| Molecular Weight: | 495.4 |
| Molecular Formula: | C23 H19 Br N4 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nc2n(C(/C(=C3C(N(C)c4ccc(cc\34)[Br])=O)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.8113 |
| logD: | 5.8113 |
| logSw: | -5.462 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.702 |
| InChI Key: | FFNWFNKHDQRVJT-UHFFFAOYSA-N |