AC1NT3K9
ethyl (2Z)-2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00664751|AG-690/12767164|SR-01000409251-1|ethyl (2Z)-2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-7-methyl-3-oxo-5-(2-phenylvinyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|(Z)-ethyl 2-((3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-7-methyl-3-oxo-5-((E)-styryl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl (2Z)-2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|ETHYL (2Z)-2-{[3-(4-CHLOROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLIDENE}-7-METHYL-3-OXO-5-[(1E)-2-PHENYLETHENYL]-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE|ethyl 5-((1E)-2-phenylvinyl)-2-{[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methy lene}-7-methyl-3-oxo-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxyla te
| Molecular Formula | C34H27ClN4O3S |
|---|---|
| Molecular Weight | 606.14923 g/mol |
| LogP | 5.9695 |
| Topological Polar Surface Area | 78.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 606.14923 |
| Monoisotopic Mass | 606.14923 |
| Heavy Atoms | 43 |
| Complexity | 2040.4115 |
Chemical Identifiers
| CAS Number | 5853-29-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1/C=C/C3=CC=CC=C3)C(=O)/C(=C/C4=CN(N=C4C5=CC=C(C=C5)Cl)C6=CC=CC=C6)/S2)C |
Product Overview
AC1NT3K9 (CAS 5853-29-2), with molecular formula C34H27ClN4O3S and molecular weight 606.14923 g/mol. IUPAC: ethyl (2Z)-2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.