1-(2-Chloro-4-methoxy-pyridin-3-yl)-3-[4-hydroxy-4-(3-trifluoromethylphenyl)-piperidine-1-carbonyl]-thiourea

HCID 59011985
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccnc(Cl)c1NC(=S)NC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIKey
WZRCMDGDFWMRHU-UHFFFAOYSA-N
Molecular formula
C20H20ClF3N4O3S
Average molar mass
488.9 g/mol

Names & identifiers

Preferred name
1-(2-Chloro-4-methoxy-pyridin-3-yl)-3-[4-hydroxy-4-(3-trifluoromethylphenyl)-piperidine-1-carbonyl]-thiourea
IUPAC
N-[(2-chloro-4-methoxy-3-pyridinyl)carbamothioyl]-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

Names & synonyms

1-(2-Chloro-4-methoxy-pyridin-3-yl)-3-[4-hydroxy-4-(3-trifluoromethylphenyl)-piperidine-1-carbonyl]-thioureaSCHEMBL1760959

Database identifiers

PubChem CID
59011985

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
119 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
3
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

Loading…