| CAS Number | 1370466-81-1 |
| Catalog Number | AG01EO8H(AGN-PC-3H469J) |
| Chemical Name | 1-(3-Fluoro-4-(7-(4-methyl-1H-imidazol-2-yl)-1-oxoisoindolin-4-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea |
| IUPAC Name | 1-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea |
| InChI | InChI=1S/C26H19F4N5O2/c1-13-11-31-23(33-13)19-8-7-17(20-12-32-24(36)22(19)20)18-6-5-16(10-21(18)27)35-25(37)34-15-4-2-3-14(9-15)26(28,29)30/h2-11H,12H2,1H3,(H,31,33)(H,32,36)(H2,34,35,37) |
| InChI Key | BOLRZWTVMUHQQU-UHFFFAOYSA-N |
| MDL Number | MFCD31692415 |
| Molecular Formula | C26H19F4N5O2 |
| Molecular Weight | 509.4550 |
| SMILES | O=C1C2=C(C3=NC(C)=CN3)C=CC(C(C=CC(NC(NC4=CC(C(F)(F)F)=CC=C4)=O)=C5)=C5F)=C2CN1 |
| UNII | 7W3FGR71NN |
| Synonyms | CG-806,
UNII-7W3FGR71NN,
7W3FGR71NN,
1370466-81-1,
SCHEMBL1292507,
CG'806,
CG026806,
CG-026806,
HY-112646,
CS-0058852,
1-(3-Fluoro-4-(7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydro-1H-isoindo-1-4-yl)-phenyl)-3-(3-trifluoromethyl-phenyl)urea,
Urea, N-(4-(2,3-dihydro-7-(5-methyl-1H-imidazol-2-yl)-1-oxo-1H-isoindol-4-yl)-3-fluorophenyl)-N'-(3-(trifluoromethyl)phenyl)-,
|
| Complexity | 844 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 509.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 509.465g/mol |
| Monoisotopic Mass | 509.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 98.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number