(S)-3-[(3,5-Bis-trifluoromethyl-benzyl)-(5-bromo-pyrimidin-2-yl)-amino]-pyrrolidine-1-carboxylic acid tert-butyl ester

HCID 59614426
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CC[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(Br)cn2)C1
InChIKey
BYWFVZNSDVPBBH-KRWDZBQOSA-N
Molecular formula
C22H23BrF6N4O2
Average molar mass
569.3 g/mol

Names & identifiers

Preferred name
(S)-3-[(3,5-Bis-trifluoromethyl-benzyl)-(5-bromo-pyrimidin-2-yl)-amino]-pyrrolidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl (3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-bromopyrimidin-2-yl)amino]pyrrolidine-1-carboxylate

Names & synonyms

(S)-3-[(3,5-Bis-trifluoromethyl-benzyl)-(5-bromo-pyrimidin-2-yl)-amino]-pyrrolidine-1-carboxylic acid tert-butyl esterSCHEMBL1721783

Database identifiers

PubChem CID
59614426

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
58.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
6
Heavy atoms
35

Related reactions

1 records
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Compound notes

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