(S)-tert-Butyl 4-(1-cyano-2-(4'-cyano-3'-methylbiphenyl-4-yl)ethylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate

HCID 59568630
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Basic information

Standard SMILES
Cc1cc(-c2ccc(C[C@@H](C#N)NC(=O)C3(NC(=O)OC(C)(C)C)CCOCC3)cc2)ccc1C#N
InChIKey
RFZSLONSOOGOLF-DEOSSOPVSA-N
Molecular formula
C28H32N4O4
Average molar mass
488.6 g/mol

Names & identifiers

Preferred name
(S)-tert-Butyl 4-(1-cyano-2-(4'-cyano-3'-methylbiphenyl-4-yl)ethylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
IUPAC
tert-butyl N-[4-[[(1S)-1-cyano-2-[4-(4-cyano-3-methylphenyl)phenyl]ethyl]carbamoyl]oxan-4-yl]carbamate

Names & synonyms

SCHEMBL7878321RFZSLONSOOGOLF-DEOSSOPVSA-N(S)-tert-Butyl 4-(1-cyano-2-(4'-cyano-3'-methylbiphenyl-4-yl)ethylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate

Database identifiers

PubChem CID
59568630

Properties

Computed structural properties

XLogP
4
Topological polar surface area
124 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
36

Related reactions

1 records
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Compound notes

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