AC1O77A1
methyl (2Z)-2-[[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AK-968/41024843|methyl (2Z)-2-[[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|methyl 2-{3-[(3,5-dimethylphenoxy)methyl]-4-methoxybenzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|(Z)-methyl 2-(3-((3,5-dimethylphenoxy)methyl)-4-methoxybenzylidene)-7-methyl-3-oxo-5-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate|methyl (2Z)-2-{3-[(3,5-dimethylphenoxy)methyl]-4-methoxybenzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|METHYL 2-((Z)-1-{3-[(3,5-DIMETHYLPHENOXY)METHYL]-4-METHOXYPHENYL}METHYLIDENE)-7-METHYL-3-OXO-5-PHENYL-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6(3H)-CARBOXYLATE
| Molecular Formula | C32H30N2O5S |
|---|---|
| Molecular Weight | 554.18756 g/mol |
| LogP | 4.61264 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 554.18756 |
| Monoisotopic Mass | 554.18756 |
| Heavy Atoms | 40 |
| Complexity | 1780.9403 |
Chemical Identifiers
| CAS Number | 445239-18-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCC2=C(C=CC(=C2)/C=C\3/C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC)C5=CC=CC=C5)OC)C |
Product Overview
AC1O77A1 (CAS 445239-18-9), with molecular formula C32H30N2O5S and molecular weight 554.18756 g/mol. IUPAC: methyl (2Z)-2-[[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.