| CAS Number | 1883548-87-5 |
| Catalog Number | AG01EP5H(AGN-PC-3H46LO) |
| Chemical Name | 3-CYCLOHEXYL-6-[4-[3-(TRIFLUOROMETHYL)PHENYL]-1-PIPERAZINYL]-2,4(1H,3H)-PYRIMIDINEDIONE |
| IUPAC Name | 3-cyclohexyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-diazinane-2,4-dione |
| InChI | InChI=1S/C21H27F3N4O2/c22-21(23,24)15-5-4-8-17(13-15)26-9-11-27(12-10-26)18-14-19(29)28(20(30)25-18)16-6-2-1-3-7-16/h4-5,8,13,16,18H,1-3,6-7,9-12,14H2,(H,25,30) |
| InChI Key | KTWKLBPBUXCXRG-UHFFFAOYSA-N |
| MDL Number | MFCD32631864 |
| Molecular Formula | C21H25F3N4O2 |
| Molecular Weight | 422.4440 |
| SMILES | C1(CCCCC1)N1C(NC(=CC1=O)N1CCN(CC1)C1=CC(=CC=C1)C(F)(F)F)=O |
| Synonyms | 3-cyclohexyl-6-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-2,4(1H,3H)-pyrimidinedione,
1883548-87-5,
|
| Complexity | 630 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 424.209g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 424.468g/mol |
| Monoisotopic Mass | 424.209g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number