rac-{(3S,4R)-4-(3,4-dichloro-phenyl)-1-[1-(1-methyl-cyclopropanecarbonyl)-piperidine-4-carbonyl]-pyrrolidin-3-yl}-isopropyl-carbamic acid 4-fluoro-phenyl ester

HCID 53247232
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Basic information

Standard SMILES
CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1
InChIKey
MFYPUIKGVAOEFM-RPLLCQBOSA-N
Molecular formula
C31H36Cl2FN3O4
Average molar mass
604.5 g/mol

Names & identifiers

Preferred name
rac-{(3S,4R)-4-(3,4-dichloro-phenyl)-1-[1-(1-methyl-cyclopropanecarbonyl)-piperidine-4-carbonyl]-pyrrolidin-3-yl}-isopropyl-carbamic acid 4-fluoro-phenyl ester
IUPAC
(4-fluorophenyl) N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-N-propan-2-ylcarbamate

Names & synonyms

SCHEMBL1985414CHEMBL3939920MFYPUIKGVAOEFM-RPLLCQBOSA-NBDBM233198US9346786, 2rac-{(3S,4R)-4-(3,4-dichloro-phenyl)-1-[1-(1-methyl-cyclopropanecarbonyl)-piperidine-4-carbonyl]-pyrrolidin-3-yl}-isopropyl-carbamic acid 4-fluoro-phenyl ester

Database identifiers

PubChem CID
53247232
ChEMBL
CHEMBL3939920

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
70.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
41

Related reactions

1 records
New reaction record

Compound notes

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