3-[2-(4-Chloro-phenyl)-pyrimidin-5-yloxymethyl]-1-(2-methoxy-benzoyl)-pyrrolidine-3-carboxylic acid ethyl ester

HCID 59322232
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Basic information

Standard SMILES
CCOC(=O)C1(COc2cnc(-c3ccc(Cl)cc3)nc2)CCN(C(=O)c2ccccc2OC)C1
InChIKey
TXMRZJAEIAOXEY-UHFFFAOYSA-N
Molecular formula
C26H26ClN3O5
Average molar mass
496 g/mol
Monoisotopic mass
495.1560986

Names & identifiers

Preferred name
3-[2-(4-Chloro-phenyl)-pyrimidin-5-yloxymethyl]-1-(2-methoxy-benzoyl)-pyrrolidine-3-carboxylic acid ethyl ester
IUPAC
ethyl 3-[[2-(4-chlorophenyl)pyrimidin-5-yl]oxymethyl]-1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate

Names & synonyms

SCHEMBL2436143TXMRZJAEIAOXEY-UHFFFAOYSA-N3-[2-(4-Chloro-phenyl)-pyrimidin-5-yloxymethyl]-1-(2-methoxy-benzoyl)-pyrrolidine-3-carboxylic acid ethyl ester

Database identifiers

PubChem CID
59322232

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
90.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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