(S)-3-{(5-bromo-pyrimidin-2-yl)-[3-chloro-5-(trifluoromethyl)benzyl]-amino}-pyrrolidine-1-carboxylic acid isopropyl ester

HCID 59614376
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Basic information

Standard SMILES
CC(C)OC(=O)N1CC[C@H](N(Cc2cc(Cl)cc(C(F)(F)F)c2)c2ncc(Br)cn2)C1
InChIKey
PAHZVFYXAFFTKR-KRWDZBQOSA-N
Molecular formula
C20H21BrClF3N4O2
Average molar mass
521.8 g/mol

Names & identifiers

Preferred name
(S)-3-{(5-bromo-pyrimidin-2-yl)-[3-chloro-5-(trifluoromethyl)benzyl]-amino}-pyrrolidine-1-carboxylic acid isopropyl ester
IUPAC
propan-2-yl (3S)-3-[(5-bromopyrimidin-2-yl)-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]amino]pyrrolidine-1-carboxylate

Names & synonyms

(S)-3-{(5-bromo-pyrimidin-2-yl)-[3-chloro-5-(trifluoromethyl)benzyl]-amino}-pyrrolidine-1-carboxylic acid isopropyl esterSCHEMBL1724420

Database identifiers

PubChem CID
59614376

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
58.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
31

Related reactions

1 records
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Compound notes

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