| CAS Number | 1062070-07-8 |
| Catalog Number | AG00HASE(AGN-PC-0WR2IO) |
| Chemical Name | tert-butyl 4-(5-chloro-6-oxo-1-phenyl-1,6-dihydropyridazin-4-yl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C19H23ClN4O3/c1-19(2,3)27-18(26)23-11-9-22(10-12-23)15-13-21-24(17(25)16(15)20)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3 |
| InChI Key | AJEBIRRZGZEXDF-UHFFFAOYSA-N |
| MDL Number | MFCD21332877 |
| Molecular Formula | C19H23ClN4O3 |
| Molecular Weight | 390.8639 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C1=C(Cl)C(=O)N(N=C1)C1=CC=CC=C1 |
| Synonyms | tert-Butyl 4-(5-chloro-6-oxo-1-phenyl-1,6-dihydropyridazin-4-yl)piperazine-1-carboxylate,
1062070-07-8,
MFCD21332877,
ZINC95099740,
AS-40094,
tert-butyl 4-(5-Cl-6-oxo-1-Ph-1,6-dihydropyridazin-4-yl)piperazine-1-carboxylate, AldrichCPR,
|
| Complexity | 642 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 390.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 390.868g/mol |
| Monoisotopic Mass | 390.146g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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