(R)-Benzyl 2-((5-bromo-1H-indol-3-yl)methyl)pyrrolidine-1-carboxylate - CAS 143322-46-7
Catalog: |
BB055082 |
Product Name: |
(R)-Benzyl 2-((5-bromo-1H-indol-3-yl)methyl)pyrrolidine-1-carboxylate |
CAS: |
143322-46-7 |
Synonyms: |
(R)-Benzyl 2-((5-bromo-1H-indol-3-yl)methyl)pyrrolidine-1-carboxylate; benzyl (2R)-2-[(5-bromo-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate; 3-(1-Benzyloxycarbonylpyrrolidin-2(R)-ylmethyl)-5-bromo-1H-indole; 3-(N-benzyloxycarbonyl-2(R)-pyrrolidinylmethyl)-5-bromo-1H-indole; (R)-3-(N-Benzyloxycarbonylpyrrolidin-2-yl-methyl)-5-bromo-1H-indole |
IUPAC Name: | benzyl (2R)-2-[(5-bromo-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate |
Description: | (R)-Benzyl 2-((5-bromo-1H-indol-3-yl)methyl)pyrrolidine-1-carboxylate is used in the preparation of indole-derivative serotoninergic receptor agonists. |
Molecular Weight: | 413.31 |
Molecular Formula: | C21H21BrN2O2 |
Canonical SMILES: | C1CC(N(C1)C(=O)OCC2=CC=CC=C2)CC3=CNC4=C3C=C(C=C4)Br |
InChI: | InChI=1S/C21H21BrN2O2/c22-17-8-9-20-19(12-17)16(13-23-20)11-18-7-4-10-24(18)21(25)26-14-15-5-2-1-3-6-15/h1-3,5-6,8-9,12-13,18,23H,4,7,10-11,14H2/t18-/m1/s1 |
InChI Key: | ICTXUHGADAKYDZ-GOSISDBHSA-N |
Complexity: | 483 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 412.07864 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 412.07864 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 45.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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