1-[(4-methylphenyl)methyl]-3-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of
1-[(4-methylphenyl)methyl]-3-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1,3-dihydro-2H-indol-2-one
1-[(4-methylphenyl)methyl]-3-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1,3-dihydro-2H-indol-2-one
Compound characteristics
| Compound ID: | 6187-2542 |
| Compound Name: | 1-[(4-methylphenyl)methyl]-3-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1,3-dihydro-2H-indol-2-one |
| Molecular Weight: | 540.6 |
| Molecular Formula: | C29 H24 N4 O5 S |
| Smiles: | Cc1ccc(CN2C(C(=C3/C(n4c(nc(c5cc(c(c(c5)OC)OC)OC)n4)S3)=O)/c3ccccc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8575 |
| logD: | 4.8575 |
| logSw: | -4.6525 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.643 |
| InChI Key: | XCXKPXGSUGRJFK-UHFFFAOYSA-N |