| CAS Number | 1782970-28-8 |
| Catalog Number | AG01FS6R(AGN-PC-3H600D) |
| Chemical Name | PTC-028 |
| IUPAC Name | 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine |
| InChI | InChI=1S/C19H12F5N5/c1-10-26-15-6-13(20)14(21)7-16(15)29(10)18-9-25-8-17(28-18)27-12-4-2-11(3-5-12)19(22,23)24/h2-9H,1H3,(H,27,28) |
| InChI Key | JEZGPBWIZWPDHP-UHFFFAOYSA-N |
| MDL Number | MFCD28716152 |
| Molecular Formula | C19H12F5N5 |
| Molecular Weight | 405.3241 |
| SMILES | FC(C1=CC=C(NC2=NC(N3C4=CC(F)=C(F)C=C4N=C3C)=CN=C2)C=C1)(F)F |
| Synonyms | PTC-028,
1782970-28-8,
PTC028,
SCHEMBL16747858,
PTC 028,
PTC 028;PTC028,
BCP20909,
EX-A1647,
HY-103696,
AK00798850,
CS-0032942,
A16812,
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| Complexity | 556 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 405.101286g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 405.3g/mol |
| Monoisotopic Mass | 405.101286g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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Certificate of Analysis
Lot Number