| CAS Number | 1294000-61-5 |
| Catalog Number | AG01EO43(AGN-PC-3H4669) |
| Chemical Name | Padsevonil |
| IUPAC Name | (4R)-4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one |
| InChI | InChI=1S/C14H14ClF5N4O2S/c1-26-6-9-22-24-8(11(14(18,19)20)21-12(24)27-9)5-23-4-7(2-10(23)25)3-13(15,16)17/h7H,2-6H2,1H3/t7-/m1/s1 |
| InChI Key | DCXFIOLWWRXEQH-SSDOTTSWSA-N |
| MDL Number | MFCD31692352 |
| Molecular Formula | C14H14ClF5N4O2S |
| Molecular Weight | 432.7966 |
| SMILES | C(N1C(C[C@H](CC(F)(F)Cl)C1)=O)C1=C(N=C2SC(COC)=NN12)C(F)(F)F |
| UNII | 0R1HN52K0N |
| Synonyms | Padsevonil,
UNII-0R1HN52K0N,
0R1HN52K0N,
1294000-61-5,
Padsevonil [INN],
SCHEMBL1672843,
SB18725,
HY-109009,
CS-0030507,
(4R)-4-(2-Chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo(2,1-b)(1,3,4)thiadiazol-5-yl)methyl)pyrrolidin-2-one,
2-Pyrrolidinone, 4-(2-chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl)methyl)-, (4R)-,
|
| Complexity | 572 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 432.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 432.794g/mol |
| Monoisotopic Mass | 432.045g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 88A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number