3-((3-((4-(Piperidin-1-yl)-2-((1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)carbamoyl)phenyl)carbamoyl)benzyl)thio)benzoic acid

HCID 56644342
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Basic information

Standard SMILES
O=C(O)c1cccc(SCc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3C(=O)Nc3ccn(-c4cccc(C(F)(F)F)c4)n3)c2)c1
InChIKey
UUNVGYUHSCQJIH-UHFFFAOYSA-N
Molecular formula
C37H32F3N5O4S
Average molar mass
699.7 g/mol

Names & identifiers

Preferred name
3-((3-((4-(Piperidin-1-yl)-2-((1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)carbamoyl)phenyl)carbamoyl)benzyl)thio)benzoic acid
IUPAC
3-[[3-[[4-piperidin-1-yl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]phenyl]carbamoyl]phenyl]methylsulfanyl]benzoic acid

Names & synonyms

3-((3-((4-(Piperidin-1-yl)-2-((1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)carbamoyl)phenyl)carbamoyl)benzyl)thio)benzoic acidSCHEMBL46889

Database identifiers

PubChem CID
56644342

Properties

Computed structural properties

XLogP
7.8
Topological polar surface area
142 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
10
Heavy atoms
50

Related reactions

2 records
New reaction record

Compound notes

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