| CAS Number | 1684386-71-7 |
| Catalog Number | AG01EOE1(AGN-PC-0WOBII) |
| Chemical Name | Benzamide, N-[4-(2-chloro-5-methyl-4-pyrimidinyl)phenyl]-N-[[4-[[(2,2-difluoroacetyl)amino]methyl]phenyl]methyl]-2,4-dihydroxy- |
| IUPAC Name | N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-[[4-[[(2,2-difluoroacetyl)amino]methyl]phenyl]methyl]-2,4-dihydroxybenzamide |
| InChI | InChI=1S/C28H23ClF2N4O4/c1-16-13-33-28(29)34-24(16)19-6-8-20(9-7-19)35(27(39)22-11-10-21(36)12-23(22)37)15-18-4-2-17(3-5-18)14-32-26(38)25(30)31/h2-13,25,36-37H,14-15H2,1H3,(H,32,38) |
| InChI Key | LCGNLQSOSJFLKR-UHFFFAOYSA-N |
| MDL Number | MFCD28411365 |
| Molecular Formula | C28H23ClF2N4O4 |
| Molecular Weight | 552.9564 |
| SMILES | ClC1=NC=C(C(=N1)C1=CC=C(C=C1)N(C(C1=C(C=C(C=C1)O)O)=O)CC1=CC=C(C=C1)CNC(C(F)F)=O)C |
| Synonyms | VER-246608,
VER-246608,
1684386-71-7,
N-(4-(2-chloro-5-methylpyrimidin-4-yl)phenyl)-N-(4-((2,2-difluoroacetamido)methyl)benzyl)-2,4-dihydroxybenzamide,
N-[4-(2-Chloro-5-Methylpyrimidin-4-Yl)phenyl]-N-(4-{[(Difluoroacetyl)amino]methyl}benzyl)-2,4-Dihydroxybenzamide,
GTPL9350,
CHEMBL3727577,
SCHEMBL16586236,
4v25,
HY-12492,
CS-0011787,
N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-[[4-[[(2,2-difluoroacetyl)amino]methyl]phenyl]methyl]-2,4-dihydroxybenzamide,
SZ6,
C000602510,
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| Complexity | 810 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 552.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 552.963g/mol |
| Monoisotopic Mass | 552.138g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.5 |
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Certificate of Analysis
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