Basic information
- CAS
868166-53-4- Standard SMILES
COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1ccccc1OC- InChIKey
PEFJZVHDLAHYLA-UHFFFAOYSA-N- Molecular formula
- C26H20F9NO3
- Average molar mass
- 565.4 g/mol
- Monoisotopic mass
- 565.12994696
Names & identifiers
- Preferred name
- Methyl 3,5-bis(trifluoromethyl)benzyl((2''-methoxy-4-(trifluoromethyl)biphenyl-2-yl)methyl)carbamate
- IUPAC
- methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate
Names & synonyms
CHEMBL1289763868166-53-4methyl 3,5-bis(trifluoromethyl)benzyl((2''-methoxy-4-(trifluoromethyl)biphenyl-2-yl)methyl)carbamateDTXSID301102644BDBM50331749Carbamic acid, [[3,5-bis(trifluoromethyl)phenyl]methyl][[2a(2)-methoxy-4-(trifluoromethyl)[1,1a(2)-biphenyl]-2-yl]methyl]-, methyl ester
Database identifiers
- CAS
868166-53-4- PubChem CID
- 11699733
- DTXSID
DTXSID301102644- ChEMBL
CHEMBL1289763
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 779
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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