Basic information
- Standard SMILES
CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)C(N)=S)cc1- InChIKey
FCZCYMAYDZRPNJ-UHFFFAOYSA-N- Molecular formula
- C23H27F3N2O3S
- Average molar mass
- 468.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-[4-(2-{(aminocarbonothioyl)[4-(trifluoromethyl)benzyl]amino}ethyl)phenoxy]-2-methylpropanoate
- IUPAC
- ethyl 2-[4-[2-[carbamothioyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]phenoxy]-2-methylpropanoate
Names & synonyms
ethyl 2-[4-(2-{(aminocarbonothioyl)[4-(trifluoromethyl)benzyl]amino}ethyl)phenoxy]-2-methylpropanoateSCHEMBL4575123
Database identifiers
- PubChem CID
- 59643246
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 614
Related reactions
7 records
Compound notes
Loading…