(+/-)-tert-butyl (1R,5S,6S)-5-methyl-6-(2-(methylsulfonyl)ethoxy)-3-(3-nitropyridin-4-yl)cyclohex-2-enylcarbamate

HCID 86705262

Basic information

Standard SMILES
C[C@H]1CC(c2ccncc2[N+](=O)[O-])=C[C@@H](NC(=O)OC(C)(C)C)[C@H]1OCCS(C)(=O)=O
InChIKey
HLBMVZFHSGOGNE-XCRHUMRWSA-N
Molecular formula
C20H29N3O7S
Average molar mass
455.5 g/mol

Names & identifiers

Preferred name
(+/-)-tert-butyl (1R,5S,6S)-5-methyl-6-(2-(methylsulfonyl)ethoxy)-3-(3-nitropyridin-4-yl)cyclohex-2-enylcarbamate
IUPAC
tert-butyl N-[(1R,5S,6S)-5-methyl-6-(2-methylsulfonylethoxy)-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-yl]carbamate

Names & synonyms

SCHEMBL15588819HLBMVZFHSGOGNE-XCRHUMRWSA-N(+/-)-tert-butyl (1R,5S,6S)-5-methyl-6-(2-(methylsulfonyl)ethoxy)-3-(3-nitropyridin-4-yl)cyclohex-2-enylcarbamate

Database identifiers

PubChem CID
86705262

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
149 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
31

Related reactions

4 records

Compound notes

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