[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl] N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate

HCID 23081574
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Basic information

Standard SMILES
CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)OCC(C)(O)Cn1cc([N+](=O)[O-])nc1Cl
InChIKey
RUBQWYSAOZMIRK-UHFFFAOYSA-N
Molecular formula
C17H18ClF3N4O6
Average molar mass
466.8 g/mol
Monoisotopic mass
466.0866965

Names & identifiers

Preferred name
[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl] N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
IUPAC
[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl] N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate

Names & synonyms

SCHEMBL5541589

Database identifiers

PubChem CID
23081574

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
123 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
8
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

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