| CAS Number | 648926-15-2 |
| Catalog Number | AG01E4Y5(AGN-PC-0MY992) |
| Chemical Name | GlycogenPhosphorylaseInhibitor |
| IUPAC Name | 2-chloro-4,5-difluoro-N-[[2-methoxy-5-(methylcarbamoylamino)phenyl]carbamoyl]benzamide |
| InChI | InChI=1S/C17H15ClF2N4O4/c1-21-16(26)22-8-3-4-14(28-2)13(5-8)23-17(27)24-15(25)9-6-11(19)12(20)7-10(9)18/h3-7H,1-2H3,(H2,21,22,26)(H2,23,24,25,27) |
| InChI Key | ROJNYKZWTOHRNU-UHFFFAOYSA-N |
| MDL Number | MFCD22050364 |
| Molecular Formula | C17H15ClF2N4O4 |
| Molecular Weight | 412.7752 |
| SMILES | FC1=C(F)C=C(C(NC(NC2=C(OC)C=CC(NC(NC)=O)=C2)=O)=O)C(Cl)=C1 |
| Synonyms | Glycogen Phosphorylase Inhibitor,
648926-15-2,
CHEMBL198392,
1-(3-(3-(2-Chloro-4,5-difluorobenzoyl)ureido)-4-methoxyphenyl)-3-methylurea,
1-{3-[3-(2-Chloro-4,5-difluorobenzoyl)ureido]-4-methoxyphenyl}-3-methylurea,
GlycogenPhosphorylaseInhibitor,
SCHEMBL4572708,
CTK8E8485,
DTXSID90435160,
ROJNYKZWTOHRNU-UHFFFAOYSA-N,
BDBM50174379,
ZINC13673990,
NCGC00387762-01,
RT-013102,
1-{3-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-methoxy-phenyl}-3-methyl-urea,
CID10070301,
2-chloro-4,5-difluoro-N-[[2-methoxy-5-(methylcarbamoylamino)phenyl]carbamoyl]benzamide,
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| Complexity | 585 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 412.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 412.778g/mol |
| Monoisotopic Mass | 412.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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