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benzyl (2R)-2-(5-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate

benzyl (2R)-2-(5-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate

CAS: 143322-56-9

Formula: C21H19BrN2O3

SMILES: BrC1=CC=C2NC=C(C(=O)[C@H]3CCCN3C(=O)OCC3=CC=CC=C3)C2=C1

IUPAC: benzyl (2R)-2-(5-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate

InChI: InChI=1S/C21H19BrN2O3/c22-15-8-9-18-16(11-15)17(12-23-18)20(25)19-7-4-10-24(19)21(26)27-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,19,23H,4,7,10,13H2/t19-/m1/s1

Composition: C (59.03%), H (4.48%), Br (18.70%), N (6.56%), O (11.23%)

Molar Mass: 427.298

Atom Count: 46

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 426.057905
Formal Charge 0
FSP3 0.24
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CWHKVBJSRGJFFN-LJQANCHMSA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.39
Topological Polar Surface Area 62.4
Polarizability 41.94
Ring Count 4
Rotatable Bond Count 5

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