t-Butyl 5-{[5-(2-pyridyldithiomethyl)benzofuran-2-ylcarbonyl]amino}indole-2-carboxylate

HCID 15345486
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Basic information

Standard SMILES
CC(C)(C)OC(=O)c1cc2cc(NC(=O)c3cc4cc(CSSc5ccccn5)ccc4o3)ccc2[nH]1
InChIKey
PEYPJPIEXRCAMI-UHFFFAOYSA-N
Molecular formula
C28H25N3O4S2
Average molar mass
531.6 g/mol
Monoisotopic mass
531.12864863

Names & identifiers

Preferred name
t-Butyl 5-{[5-(2-pyridyldithiomethyl)benzofuran-2-ylcarbonyl]amino}indole-2-carboxylate
IUPAC
tert-butyl 5-[[5-[(pyridin-2-yldisulfanyl)methyl]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate

Names & synonyms

SCHEMBL8056818PEYPJPIEXRCAMI-UHFFFAOYSA-Nt-Butyl 5-{[5-(2-pyridyldithiomethyl)benzofuran-2-ylcarbonyl]amino}indole-2-carboxylate

Database identifiers

PubChem CID
15345486

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
148 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
37

Related reactions

5 records
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Compound notes

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