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N-tert-butyl-N-[[6-chloro-4-[4-chloro-2-(2,6-difluorobenzoyl)phenyl]-3-pyridinyl]methyl]carbamate

HCID 178448992
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Basic information

Standard SMILES
CC(C)(C)N(Cc1cnc(Cl)cc1-c1ccc(Cl)cc1C(=O)c1c(F)cccc1F)C(=O)[O-]
InChIKey
BTQZWDRGJNRYAF-UHFFFAOYSA-M
Molecular formula
C24H19Cl2F2N2O3-
Average molar mass
492.3 g/mol
Monoisotopic mass
491.0740792

Names & identifiers

IUPAC
N-tert-butyl-N-[[6-chloro-4-[4-chloro-2-(2,6-difluorobenzoyl)phenyl]-3-pyridinyl]methyl]carbamate

Database identifiers

PubChem CID
86618484

Properties

Computed structural propertiesFilling in

XLogP
6.6
Topological polar surface area
73.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
33
Formal charge
-1
Complexity
692

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Related reactions

1 records
New reaction record
HRID 2161558 reaction equation
HRID 2161558As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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