Methyl 4-(4-Boc-1-piperazinyl)-3-chlorobenzoate - CAS 906559-46-4
Catalog: |
BB039922 |
Product Name: |
Methyl 4-(4-Boc-1-piperazinyl)-3-chlorobenzoate |
CAS: |
906559-46-4 |
Synonyms: |
4-(2-chloro-4-methoxycarbonylphenyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-(2-chloro-4-methoxycarbonylphenyl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(2-chloro-4-methoxycarbonylphenyl)piperazine-1-carboxylate |
Description: | Methyl 4-(4-Boc-1-piperazinyl)-3-chlorobenzoate (CAS# 906559-46-4) is a useful research chemical. |
Molecular Weight: | 354.83 |
Molecular Formula: | C17H23ClN2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)Cl |
InChI: | InChI=1S/C17H23ClN2O4/c1-17(2,3)24-16(22)20-9-7-19(8-10-20)14-6-5-12(11-13(14)18)15(21)23-4/h5-6,11H,7-10H2,1-4H3 |
InChI Key: | OQYMMYYTJXVHSU-UHFFFAOYSA-N |
LogP: | 3.18660 |
Publication Number | Title | Priority Date |
BR-112019011676-A2 | polyadp ribose polymerase (parp) inhibitors | 20161230 |
CA-3047137-A1 | Poly-adp ribose polymerase (parp) inhibitors | 20161230 |
JP-2020512298-A | Poly-ADP ribose polymerase (PARP) inhibitor | 20161230 |
KR-20190098760-A | Poly-ADP Ribose Polymerase (PARP) Inhibitor | 20161230 |
TW-201834657-A | poly-ADP ribose polymerase (PARP) inhibitor | 20161230 |
Complexity: | 458 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 354.1346349 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 354.1346349 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 59.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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