3-methyl-3-[2-(2-methylanilino)-1,3-thiazol-4-yl]-8-[(3-methylbutoxy)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione
Chemical Structure Depiction of
3-methyl-3-[2-(2-methylanilino)-1,3-thiazol-4-yl]-8-[(3-methylbutoxy)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione
3-methyl-3-[2-(2-methylanilino)-1,3-thiazol-4-yl]-8-[(3-methylbutoxy)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione
Compound characteristics
| Compound ID: | 4159-0016 |
| Compound Name: | 3-methyl-3-[2-(2-methylanilino)-1,3-thiazol-4-yl]-8-[(3-methylbutoxy)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C24 H30 N2 O5 S |
| Smiles: | CC(C)CCOCC1CC2(CC(C)(c3csc(Nc4ccccc4C)n3)OC2=O)C(=O)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1087 |
| logD: | 5.1087 |
| logSw: | -4.9431 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.772 |
| InChI Key: | FCPXXDZAISHDDM-UHFFFAOYSA-N |