(+/-)-(4R*,5R*)-5-{1(1S*)[5-(3-{[(4-fluorophenyl)amino]carbonylamino}phenyl)(2-thienyl)]hydroxymethyl}-1-methyl-4-phenylpyrrolidin-2-one

HCID 59066489
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Basic information

Standard SMILES
CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@H](O)c1ccc(-c2cccc(NC(=O)Nc3ccc(F)cc3)c2)s1
InChIKey
XJZMMKRGGPFRSA-XTBZXYEFSA-N
Molecular formula
C29H26FN3O3S
Average molar mass
515.6 g/mol

Names & identifiers

Preferred name
(+/-)-(4R*,5R*)-5-{1(1S*)[5-(3-{[(4-fluorophenyl)amino]carbonylamino}phenyl)(2-thienyl)]hydroxymethyl}-1-methyl-4-phenylpyrrolidin-2-one
IUPAC
1-(4-fluorophenyl)-3-[3-[5-[(S)-hydroxy-[(2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl]methyl]thiophen-2-yl]phenyl]urea

Names & synonyms

XJZMMKRGGPFRSA-XTBZXYEFSA-N(+/-)-(4R*,5R*)-5-{1(1S*)[5-(3-{[(4-fluorophenyl)amino]carbonylamino}phenyl)(2-thienyl)]hydroxymethyl}-1-methyl-4-phenylpyrrolidin-2-one

Database identifiers

PubChem CID
59066489

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
110 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
37

Related reactions

1 records
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Compound notes

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