N-{2-(Carbamoylamino)-1-[3-(trifluoromethyl)phenyl]ethyl}-2-{3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetamide

HCID 59536760
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(=O)NCC(NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1
InChIKey
OICHWUVGTUHYHN-DJNXLDHESA-N
Molecular formula
C23H21ClF6N6O4
Average molar mass
594.9 g/mol
Monoisotopic mass
594.1216998

Names & identifiers

Preferred name
N-{2-(Carbamoylamino)-1-[3-(trifluoromethyl)phenyl]ethyl}-2-{3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetamide
IUPAC
N-[2-(carbamoylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide

Names & synonyms

N-{2-(Carbamoylamino)-1-[3-(trifluoromethyl)phenyl]ethyl}-2-{3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetamideSCHEMBL3446936

Database identifiers

PubChem CID
59536760

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
140 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
11
Rotatable bonds
9
Heavy atoms
40

Related reactions

4 records
New reaction record

Compound notes

Loading…