| CAS Number | 898640-71-6 |
| Catalog Number | AG01DTMA |
| Chemical Name | 2-methyl-2-(4-nitrophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one |
| IUPAC Name | 2-methyl-2-(4-nitrophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one |
| InChI | InChI=1S/C20H23N3O3/c1-20(2,16-8-10-18(11-9-16)23(25)26)19(24)22-14-12-21(13-15-22)17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3 |
| InChI Key | YLVZTFUNQVNXPV-UHFFFAOYSA-N |
| MDL Number | MFCD31803649 |
| Molecular Formula | C20H23N3O3 |
| Molecular Weight | 353.4149 |
| SMILES | CC(C)(C(=O)N1CCN(CC1)c1ccccc1)c1ccc(cc1)[N+]([O-])=O |
| Synonyms | 1-Propanone, 2-methyl-2-(4-nitrophenyl)-1-(4-phenyl-1-piperazinyl)-,
898640-71-6,
|
| Complexity | 495 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.422g/mol |
| Monoisotopic Mass | 353.174g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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