(7aS,6S)-2-(3,5-dichloro-phenyl)-6-(4-bromophenoxy)-tetrahydro-pyrrolo[1,2-c]imidazole-1,3-dione

HCID 9804074
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Basic information

Standard SMILES
O=C1[C@@H]2C[C@H](Oc3ccc(Br)cc3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1
InChIKey
YAIIYQQJBPVSEB-HOTGVXAUSA-N
Molecular formula
C18H13BrCl2N2O3
Average molar mass
456.1 g/mol

Names & identifiers

Preferred name
(7aS,6S)-2-(3,5-dichloro-phenyl)-6-(4-bromophenoxy)-tetrahydro-pyrrolo[1,2-c]imidazole-1,3-dione
IUPAC
(6S,7aS)-6-(4-bromophenoxy)-2-(3,5-dichlorophenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

Names & synonyms

SCHEMBL6776563YAIIYQQJBPVSEB-HOTGVXAUSA-NPD146077(7aS,6S)-2-(3,5-dichloro-phenyl)-6-(4-bromophenoxy)-tetrahydro-pyrrolo[1,2-c]imidazole-1,3-dione

Database identifiers

PubChem CID
9804074

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
49.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
26

Related reactions

2 records
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Linked notes

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