| CAS Number | 1897379-34-8 |
| Catalog Number | AG01ENHP(AGN-PC-3H45LN) |
| Chemical Name | SLM6031434 (hydrochloride) |
| IUPAC Name | (2S)-2-[3-[4-octoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride |
| InChI | InChI=1S/C22H30F3N5O2.ClH/c1-2-3-4-5-6-7-13-31-18-11-10-15(14-16(18)22(23,24)25)19-28-20(32-29-19)17-9-8-12-30(17)21(26)27;/h10-11,14,17H,2-9,12-13H2,1H3,(H3,26,27);1H/t17-;/m0./s1 |
| InChI Key | YIGAQKBPLMSWOD-LMOVPXPDSA-N |
| MDL Number | MFCD31689247 |
| Molecular Formula | C22H31ClF3N5O2 |
| Molecular Weight | 489.9620 |
| SMILES | N=C(N)N1CCC[C@H]1C2=NC(C3=CC(C(F)(F)F)=C(C=C3)OCCCCCCCC)=NO2.Cl |
| Synonyms | 1897379-34-8,
SLM 6031434 hydrochloride,
(2S)-2-[3-[4-(Octyloxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidinecarboximidamide hydrochloride,
(2S)-2-[3-[4-(Octyloxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidinecarboximidamidehydrochloride,
|
| Complexity | 594 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 489.212g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 489.968g/mol |
| Monoisotopic Mass | 489.212g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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