[2-Benzylsulfanyl-6-(4-trifluoromethyl-phenyl)-pyrimidin-4-ylmethyl]-carbamic acid tert-butyl ester

HCID 66832575

Basic information

Standard SMILES
CC(C)(C)OC(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(SCc2ccccc2)n1
InChIKey
GFYBVBJBNNKXFO-UHFFFAOYSA-N
Molecular formula
C24H24F3N3O2S
Average molar mass
475.5 g/mol

Names & identifiers

Preferred name
[2-Benzylsulfanyl-6-(4-trifluoromethyl-phenyl)-pyrimidin-4-ylmethyl]-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[[2-benzylsulfanyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]carbamate

Names & synonyms

[2-benzylsulfanyl-6-(4-trifluoromethyl-phenyl)-pyrimidin-4-ylmethyl]-carbamic acid tert-butyl esterSCHEMBL893888DB-210193Tert-butyl (2-(benzylthio)-6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)methylcarbamate1257437-04-9tert-butyl N-[[2-(benzylsulfanyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]carbamate

Database identifiers

PubChem CID
66832575

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
89.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
33

Related reactions

3 records

Compound notes

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