4-([(4'-Difluoromethoxy-biphenyl-4-yl)-methyl-amino]-methyl)-5-methyl-furan-2-carboxylic acid methyl ester

HCID 58824166

Basic information

Standard SMILES
COC(=O)c1cc(CN(C)c2ccc(-c3ccc(OC(F)F)cc3)cc2)c(C)o1
InChIKey
RNIHZLXHSPESJS-UHFFFAOYSA-N
Molecular formula
C22H21F2NO4
Average molar mass
401.4 g/mol
Monoisotopic mass
401.14386448

Names & identifiers

Preferred name
4-([(4'-Difluoromethoxy-biphenyl-4-yl)-methyl-amino]-methyl)-5-methyl-furan-2-carboxylic acid methyl ester
IUPAC
methyl 4-[[4-[4-(difluoromethoxy)phenyl]-N-methylanilino]methyl]-5-methylfuran-2-carboxylate

Names & synonyms

4-([(4'-Difluoromethoxy-biphenyl-4-yl)-methyl-amino]-methyl)-5-methyl-furan-2-carboxylic acid methyl ester4-{[(4'-Difluoromethoxy-biphenyl-4-yl)-methyl-amino]-methyl}-5-methyl-furan-2-carboxylic acid methyl esterSCHEMBL3534680

Database identifiers

PubChem CID
58824166

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
51.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
29

Related reactions

10 records

Compound notes

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