| CAS Number | 1796641-10-5 |
| Catalog Number | AG01EO0I(AGN-PC-3H4653) |
| Chemical Name | Parimifasor |
| IUPAC Name | 3-chloro-N-[N-(3-chloro-5-fluorophenyl)-N'-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]benzamide |
| InChI | InChI=1S/C18H11Cl2F4N5O/c19-10-3-1-2-9(4-10)16(30)27-17(25-13-6-11(20)5-12(21)7-13)26-15-8-14(28-29-15)18(22,23)24/h1-8H,(H3,25,26,27,28,29,30) |
| InChI Key | GPLAWHGEODGIAW-UHFFFAOYSA-N |
| MDL Number | MFCD31657371 |
| Molecular Formula | C18H11Cl2F4N5O |
| Molecular Weight | 460.2125 |
| SMILES | ClC=1C=C(C(=O)NC(NC2=NNC(=C2)C(F)(F)F)=NC2=CC(=CC(=C2)F)Cl)C=CC1 |
| UNII | RQG8C1T7M4 |
| Synonyms | Parimifasor,
1796641-10-5,
UNII-RQG8C1T7M4,
RQG8C1T7M4,
Parimifasor [INN],
CHEMBL3978527,
SCHEMBL16794322,
GPLAWHGEODGIAW-UHFFFAOYSA-N,
HY-109098,
CS-0039401,
3-chloro-N-(((3-chloro-5-fluorophenyl)amino)((5-(trifluoromethyl)-1H-pyrazol-3-yl)amino)methylene)benzamide,
3-Chloro-N-(((3-chloro-5-fluorophenyl)imino)((5-(trifluoromethyl)-1H-pyrazol-3-yl)amino)methyl)benzamide,
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| Complexity | 638 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 459.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 460.214g/mol |
| Monoisotopic Mass | 459.028g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 82.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
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Certificate of Analysis
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