| CAS Number | 1018675-35-8 |
| Catalog Number | AG01EOCM(AGN-PC-0OR17Q) |
| Chemical Name | CVT-12012 |
| IUPAC Name | 2-hydroxy-N-[2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide |
| InChI | InChI=1S/C21H21F3N4O3/c1-13-20(31)28(8-7-25-19(30)12-29)18-10-16(5-6-17(18)27-13)26-11-14-3-2-4-15(9-14)21(22,23)24/h2-6,9-10,26,29H,7-8,11-12H2,1H3,(H,25,30) |
| InChI Key | HRAQDVZJYIAWOV-UHFFFAOYSA-N |
| MDL Number | MFCD18251587 |
| Molecular Formula | C21H21F3N4O3 |
| Molecular Weight | 434.4116 |
| SMILES | CC(C(N1CCNC(CO)=O)=O)=NC(C1=C2)=CC=C2NCC3=CC(C(F)(F)F)=CC=C3 |
| UNII | OH3J29Q653 |
| Synonyms | CVT-12012,
1018675-35-8,
UNII-OH3J29Q653,
CHEMBL573829,
OH3J29Q653,
SCHEMBL906403,
EX-A2767,
BDBM50298898,
2-Hydroxy-N-(2-(3-methyl-2-oxo-7-(((3-(trifluoromethyl)phenyl)methyl)amino)-1,2-dihydroquinoxalin-1-yl)ethyl)acetamide,
Acetamide, 2-hydroxy-N-(2-(3-methyl-2-oxo-7-(((3-(trifluoromethyl)phenyl)methyl)amino)-1(2H)-quinoxalinyl)ethyl)-,
HY-11034,
CS-0003005,
2-hydroxy-N-(2-(3-methyl-2-oxo-7-((3-(trifluoromethyl)benzyl)amino)quinoxalin-1(2H)-yl)ethyl)acetamide,
2-hydroxy-N-(2-(3-methyl-2-oxo-7-(3-(trifluoromethyl)benzylamino)quinoxalin-1(2H)-yl)ethyl)acetamide,
D0O7DP,
HRAQDVZJYIAWOV-UHFFFAOYSA-N,
|
| Complexity | 685 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 434.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 434.419g/mol |
| Monoisotopic Mass | 434.157g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 94A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number