| CAS Number | 1198160-14-3 |
| Catalog Number | AG01E027(AGN-PC-0WP09B) |
| Chemical Name | 2,3-Dihydro-3-oxo-2-(tetrahydro-2H-pyran-4-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-Isoindole-1-carboxamide |
| IUPAC Name | 2-(oxan-4-yl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide |
| InChI | InChI=1S/C22H21F3N2O4/c23-22(24,25)31-16-7-5-14(6-8-16)13-26-20(28)19-17-3-1-2-4-18(17)21(29)27(19)15-9-11-30-12-10-15/h1-8,15,19H,9-13H2,(H,26,28) |
| InChI Key | ICGMZCVSHDKQTE-UHFFFAOYSA-N |
| MDL Number | MFCD28166479 |
| Molecular Formula | C22H21F3N2O4 |
| Molecular Weight | 434.4083 |
| SMILES | O=C1N(C(C2=CC=CC=C12)C(=O)NCC1=CC=C(C=C1)OC(F)(F)F)C1CCOCC1 |
| Synonyms | CHEMBL2164371,
1198160-14-3,
2,3-Dihydro-3-oxo-2-(tetrahydro-2H-pyran-4-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide,
NAV 26,
SCHEMBL4463844,
BDBM50395368,
AKOS025142015,
NCGC00387182-01,
ICGMZCVSHDKQTE-UHFFFAOYSA-N,
|
| Complexity | 645 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 434.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 434.415g/mol |
| Monoisotopic Mass | 434.145g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number