AC1LQK74
(E)-3-[2-(4-bromophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide
Also Known As: (E)-3-(2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acrylamide|(2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide|(E)-3-[2-(4-bromophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide
| Molecular Formula | C29H21BrN6O4 |
|---|---|
| Molecular Weight | 596.08075 g/mol |
| LogP | 4.5928 |
| Topological Polar Surface Area | 123.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 596.08075 |
| Monoisotopic Mass | 596.08075 |
| Heavy Atoms | 40 |
| Complexity | 1947.9434 |
Chemical Identifiers
| CAS Number | 620105-19-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=C(N=C4C=CC=CN4C3=O)OC5=CC=C(C=C5)Br)/C#N |
Product Overview
AC1LQK74 (CAS 620105-19-3), with molecular formula C29H21BrN6O4 and molecular weight 596.08075 g/mol. IUPAC: (E)-3-[2-(4-bromophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide.