1-(2-(5-Bromo-4-(5-((S)-pyrrolidin-2-ylmethoxy)benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)ethyl)-5,5-dimethylimidazolidine-2,4-dione trifluoroacetate

HCID 68466751
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Basic information

Standard SMILES
CC1(C)C(=O)NC(=O)N1CCNc1ncc(Br)c(-c2cc3cc(OC[C@@H]4CCCN4)ccc3s2)n1.O=C(O)C(F)(F)F
InChIKey
CXMFAINLVNVGBH-RSAXXLAASA-N
Molecular formula
C26H28BrF3N6O5S
Average molar mass
673.5 g/mol
Monoisotopic mass
672.09774

Names & identifiers

Preferred name
1-(2-(5-Bromo-4-(5-((S)-pyrrolidin-2-ylmethoxy)benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)ethyl)-5,5-dimethylimidazolidine-2,4-dione trifluoroacetate
IUPAC
1-[2-[[5-bromo-4-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid

Names & synonyms

1-(2-(5-Bromo-4-(5-((S)-pyrrolidin-2-ylmethoxy)benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)ethyl)-5,5-dimethylimidazolidine-2,4-dione trifluoroacetateSCHEMBL2985389

Database identifiers

PubChem CID
68466751

Properties

Computed structural properties

Topological polar surface area
174 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
13
Rotatable bonds
8
Heavy atoms
42

Related reactions

2 records
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Compound notes

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