| CAS Number | 763111-49-5 |
| Catalog Number | AG00G4PW(AGN-PC-0U9GVJ) |
| Chemical Name | KU-0058948 |
| IUPAC Name | 4-[[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;hydrochloride |
| InChI | InChI=1S/C21H21FN4O2.ClH/c22-18-7-6-14(12-17(18)21(28)26-10-3-8-23-9-11-26)13-19-15-4-1-2-5-16(15)20(27)25-24-19;/h1-2,4-7,12,23H,3,8-11,13H2,(H,25,27);1H |
| InChI Key | GXROJFUSWNEBPH-UHFFFAOYSA-N |
| MDL Number | MFCD12913320 |
| Molecular Formula | C21H21FN4O2 |
| Molecular Weight | 380.4154 |
| SMILES | Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCCNCC4 |
| Synonyms | 763111-49-5,
KU 0058948 hydrochloride,
4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one hydrochloride,
4-[[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;hydrochloride,
N.A.,
|
| Complexity | 626 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 416.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 416.881g/mol |
| Monoisotopic Mass | 416.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number