(2S,4S)-1-Boc-2-[4-(4-bromophenyl)-2-imidazolyl]-4-methylpyrrolidine - CAS 1250939-45-7
Catalog: |
BB006058 |
Product Name: |
(2S,4S)-1-Boc-2-[4-(4-bromophenyl)-2-imidazolyl]-4-methylpyrrolidine |
CAS: |
1250939-45-7 |
Synonyms: |
(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-methyl-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-methylpyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-methylpyrrolidine-1-carboxylate |
Description: | (2S,4S)-1-Boc-2-[4-(4-bromophenyl)-2-imidazolyl]-4-methylpyrrolidine (CAS# 1250939-45-7 ) is a useful research chemical. |
Molecular Weight: | 406.32 |
Molecular Formula: | C19H24BrN3O2 |
Canonical SMILES: | CC1CC(N(C1)C(=O)OC(C)(C)C)C2=NC=C(N2)C3=CC=C(C=C3)Br |
InChI: | InChI=1S/C19H24BrN3O2/c1-12-9-16(23(11-12)18(24)25-19(2,3)4)17-21-10-15(22-17)13-5-7-14(20)8-6-13/h5-8,10,12,16H,9,11H2,1-4H3,(H,21,22)/t12-,16-/m0/s1 |
InChI Key: | BVJFVSRRBMLMHC-LRDDRELGSA-N |
LogP: | 5.09510 |
Publication Number | Title | Priority Date |
WO-2017015439-A1 | Crystalline form of a hepatitis c virus inhibitor | 20150721 |
US-2017044140-A1 | Bridged ring compounds as hepatitis c virus inhibitors, pharmaceutical compositions and uses thereof | 20140123 |
US-9738629-B2 | Bridged ring compounds as Hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof | 20140123 |
WO-2015110048-A1 | Bridged ring compounds as hepatitis c virus inhibitors, pharmaceutical compositions and uses thereof | 20140123 |
US-2015232509-A1 | Spiro ring compounds as hepatitis c virus (hcv) inhibitors | 20120928 |
Complexity: | 474 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 405.10519 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 405.10519 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 58.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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