3-{[{[5'-Isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}(methoxycarbonyl)amino]methyl}-5-(trifluoromethyl)benzoic acid

HCID 11556089
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Basic information

Standard SMILES
COC(=O)N(Cc1cc(C(=O)O)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC
InChIKey
QHXBGOGASZLRPY-UHFFFAOYSA-N
Molecular formula
C29H27F6NO5
Average molar mass
583.5 g/mol
Monoisotopic mass
583.17934193

Names & identifiers

Preferred name
3-{[{[5'-Isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}(methoxycarbonyl)amino]methyl}-5-(trifluoromethyl)benzoic acid
IUPAC
3-[[methoxycarbonyl-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5-(trifluoromethyl)benzoic acid

Names & synonyms

3-{[{[5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}(methoxycarbonyl)amino]methyl}-5-(trifluoromethyl)benzoic acidSCHEMBL3555999

Database identifiers

PubChem CID
11556089

Properties

Computed structural properties

XLogP
7.1
Topological polar surface area
76.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
9
Heavy atoms
41

Related reactions

3 records
New reaction record

Linked notes

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