(S)-tert-Butyl 4-(1-cyano-2-(4-iodophenyl)ethylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate

HCID 59568614
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)N[C@H](C#N)Cc2ccc(I)cc2)CCOCC1
InChIKey
KPQYGDZZIXSOLG-INIZCTEOSA-N
Molecular formula
C20H26IN3O4
Average molar mass
499.3 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL2890519KPQYGDZZIXSOLG-INIZCTEOSA-N(S)-tert-Butyl 4-(1-cyano-2-(4-iodophenyl)ethylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate

Database identifiers

PubChem CID
59568614

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
100 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
28

Related reactions

5 records
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Compound notes

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