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(2S)-tert-butyl 2-((2-(5-bromo-2-(2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)ethylamino)pyrimidin-4-yl)benzo[b]thiophen-5-yloxy)methyl)pyrrolidine-1-carboxylate

HCID 68465987
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc2sc(-c3nc(NCCN4C(=O)NC(=O)C4(C)C)ncc3Br)cc2c1
InChIKey
ZDXCTNQRRADAQL-SFHVURJKSA-N
Molecular formula
C29H35BrN6O5S
Average molar mass
659.6 g/mol
Monoisotopic mass
658.1573

Names & identifiers

Preferred name
(2S)-tert-butyl 2-((2-(5-bromo-2-(2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)ethylamino)pyrimidin-4-yl)benzo[b]thiophen-5-yloxy)methyl)pyrrolidine-1-carboxylate
IUPAC
tert-butyl (2S)-2-[[2-[5-bromo-2-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1-benzothiophen-5-yl]oxymethyl]pyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL2983293ZDXCTNQRRADAQL-SFHVURJKSA-N(2S)-tert-butyl 2-((2-(5-bromo-2-(2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)ethylamino)pyrimidin-4-yl)benzo[b]thiophen-5-yloxy)methyl)pyrrolidine-1-carboxylate(2S)-tert-Butyl 2-((2-(5-bromo-2-(2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)ethylamino)pyrimidin-4-yl)benzo[b]thiophen-5-yloxy)methyl)pyrrolidine-l-carboxylate

Database identifiers

PubChem CID
68465987

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
154 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
42
Formal charge
0
Complexity
1,010

Related reactions

4 records
New reaction record
HRID 507548 reaction equation
HRID 507548As productuspto-grants-2010_08
HRID 507549 reaction equation
HRID 507549As reactantuspto-grants-2010_08
HRID 2267323 reaction equation
HRID 2267323As productuspto-grants-2010_12
HRID 2267324 reaction equation
HRID 2267324As reactantuspto-grants-2010_12

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes