| CAS Number | 2031161-35-8 |
| Catalog Number | AG01EO6H(AGN-PC-3H4685) |
| Chemical Name | UT-155 |
| IUPAC Name | (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(5-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide |
| InChI | InChI=1S/C20H15F4N3O2/c1-19(29,11-27-7-6-12-8-14(21)3-5-17(12)27)18(28)26-15-4-2-13(10-25)16(9-15)20(22,23)24/h2-9,29H,11H2,1H3,(H,26,28)/t19-/m0/s1 |
| InChI Key | CFSAYQVTXBMPRF-IBGZPJMESA-N |
| MDL Number | MFCD31746902 |
| Molecular Formula | C20H15F4N3O2 |
| Molecular Weight | 405.3456 |
| SMILES | C(#N)C1=C(C=C(C=C1)NC([C@@](CN1C=CC2=CC(=CC=C12)F)(C)O)=O)C(F)(F)F |
| Synonyms | UT-155,
2031161-35-8,
SCHEMBL18171674,
HY-112895,
CS-0067479,
|
| Complexity | 664 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 405.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 405.353g/mol |
| Monoisotopic Mass | 405.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number