4-{3-Dimethylcarbamoyl-4-[(4'-trifluoromethylbiphenyl-2-carbonyl)amino]phenyl}butanoic acid 4-(3-methyl-[1,2,4]oxadiazol-5-yl)phenyl ester

HCID 11628884
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1noc(-c2ccc(OC(=O)CCCc3ccc(NC(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)c(C(=O)N(C)C)c3)cc2)n1
InChIKey
PPOSJMJFFHCDCH-UHFFFAOYSA-N
Molecular formula
C36H31F3N4O5
Average molar mass
656.6 g/mol

Names & identifiers

Preferred name
4-{3-Dimethylcarbamoyl-4-[(4'-trifluoromethylbiphenyl-2-carbonyl)amino]phenyl}butanoic acid 4-(3-methyl-[1,2,4]oxadiazol-5-yl)phenyl ester
IUPAC
[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] 4-[3-(dimethylcarbamoyl)-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]butanoate

Names & synonyms

4-{3-Dimethylcarbamoyl-4-[(4'-trifluoromethylbiphenyl-2-carbonyl)amino]phenyl}butanoic acid 4-(3-methyl-[1,2,4]oxadiazol-5-yl)phenyl esterSCHEMBL399150

Database identifiers

PubChem CID
11628884

Properties

Computed structural properties

XLogP
7.6
Topological polar surface area
115 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
11
Heavy atoms
48

Related reactions

1 records
New reaction record

Compound notes

Loading…