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
- Formal charge
- 0
- Complexity
- 519
Related reactions
10 records
Compound notes
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