[4-[3-({[2-(Methylthio)Benzyl]Amino}Methyl)Phenyl]-8-(Trifluoromethyl)Quinolin-3-yl](Phenyl)Methanone

HCID 66913645
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Basic information

Standard SMILES
CSc1ccccc1CNCc1cccc(-c2c(C(=O)c3ccccc3)cnc3c(C(F)(F)F)cccc23)c1
InChIKey
BPUQYLDLJRYDQO-UHFFFAOYSA-N
Molecular formula
C32H25F3N2OS
Average molar mass
542.6 g/mol

Names & identifiers

Preferred name
[4-[3-({[2-(Methylthio)Benzyl]Amino}Methyl)Phenyl]-8-(Trifluoromethyl)Quinolin-3-yl](Phenyl)Methanone
IUPAC
[4-[3-[[(2-methylsulfanylphenyl)methylamino]methyl]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone

Names & synonyms

[4-[3-({[2-(Methylthio)Benzyl]Amino}Methyl)Phenyl]-8-(Trifluoromethyl)Quinolin-3-yl](Phenyl)MethanoneSCHEMBL1124855

Database identifiers

PubChem CID
66913645

Properties

Computed structural properties

XLogP
7.4
Topological polar surface area
67.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
39

Related reactions

2 records
New reaction record

Compound notes

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