(2S,4R)-1-(2-(1H-1,2,3-triazol-1-yl)acetyl)-4-(4-chlorobenzyl)-N-(4-(4-fluorophenoxy)phenyl)pyrrolidine-2-carboxamide

HCID 45376366
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Basic information

Standard SMILES
O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccc(Cl)cc2)CN1C(=O)Cn1ccnn1
InChIKey
DZCLWEFCEGMIKH-IBVKSMDESA-N
Molecular formula
C28H25ClFN5O3
Average molar mass
534 g/mol

Names & identifiers

Preferred name
(2S,4R)-1-(2-(1H-1,2,3-triazol-1-yl)acetyl)-4-(4-chlorobenzyl)-N-(4-(4-fluorophenoxy)phenyl)pyrrolidine-2-carboxamide
IUPAC
(2S,4R)-4-[(4-chlorophenyl)methyl]-N-[4-(4-fluorophenoxy)phenyl]-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxamide

Names & synonyms

SCHEMBL1375493DZCLWEFCEGMIKH-IBVKSMDESA-N(2S,4R)-1-(2-(1H-1,2,3-triazol-1-yl)acetyl)-4-(4-chlorobenzyl)-N-(4-(4-fluorophenoxy)phenyl)pyrrolidine-2-carboxamide

Database identifiers

PubChem CID
45376366

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
89.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
38

Related reactions

1 records
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Compound notes

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