2-(4-Phenylpyrimidin-2-yl)-5-[(2-thiophen-2-ylphenyl)carbonyl]octahydro-pyrrolo[3,4-c]pyrrole

HCID 52916848
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Basic information

Standard SMILES
O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1
InChIKey
STUYLSHRLFVFHS-UHFFFAOYSA-N
Molecular formula
C27H24N4OS
Average molar mass
452.6 g/mol
Monoisotopic mass
452.16708258

Names & identifiers

Preferred name
2-(4-Phenylpyrimidin-2-yl)-5-[(2-thiophen-2-ylphenyl)carbonyl]octahydro-pyrrolo[3,4-c]pyrrole
IUPAC
[2-(4-phenylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-thiophen-2-ylphenyl)methanone

Names & synonyms

SCHEMBL1672212CHEMBL3646173STUYLSHRLFVFHS-UHFFFAOYSA-NBDBM118369US8653263, 222-(4-Phenylpyrimidin-2-yl)-5-[(2-thiophen-2-ylphenyl)carbonyl]octahydro-pyrrolo[3,4-c]pyrrole

Database identifiers

PubChem CID
52916848
ChEMBL
CHEMBL3646173

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
77.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
33

Related reactions

2 records
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Linked notes

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