| CAS Number | 1198117-23-5 |
| Catalog Number | AG008TJN |
| Chemical Name | Sodium Channel inhibitor 1 |
| IUPAC Name | 7-fluoro-3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide |
| InChI | InChI=1S/C24H19F4N3O3/c25-19-6-3-5-18-20(19)21(31(23(18)33)13-11-16-4-1-2-12-29-16)22(32)30-14-15-7-9-17(10-8-15)34-24(26,27)28/h1-10,12,21H,11,13-14H2,(H,30,32) |
| InChI Key | GRXUKFHZQDPFAI-UHFFFAOYSA-N |
| MDL Number | MFCD24070823 |
| Molecular Formula | C24H19F4N3O3 |
| Molecular Weight | 473.4196 |
| SMILES | O=C(C1N(CCC2=NC=CC=C2)C(C3=C1C(F)=CC=C3)=O)NCC4=CC=C(OC(F)(F)F)C=C4 |
| Synonyms | Sodium Channel inhibitor 1,
1198117-23-5,
7-FLUORO-3-OXO-2-(2-(PYRIDIN-2-YL)ETHYL)-N-(4-(TRIFLUOROMETHOXY)BENZYL)ISOINDOLINE-1-CARBOXAMIDE,
CHEMBL2164368,
Sodium-Channel-inhibitor-1,
SCHEMBL3900840,
C24H19F4N3O3,
BCP11061,
3396AH,
BDBM50395346,
FD5015,
MFCD26960937,
CS-1558,
NCGC00379083-01,
HY-15736,
AB0087821,
GRXUKFHZQDPFAI-UHFFFAOYSA-N,
|
| Complexity | 714 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 473.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 473.428g/mol |
| Monoisotopic Mass | 473.136g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 71.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number