Basic information
- Standard SMILES
CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C(N)=S)cc1- InChIKey
YSMWBKZQUMGYGQ-UHFFFAOYSA-N- Molecular formula
- C24H26F6N2O3S
- Average molar mass
- 536.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-[4-(2-{(aminocarbonothioyl)[2,4-bis(trifluoromethyl)benzyl]amino}ethyl)phenoxy]-2-methylpropanoate
- IUPAC
- ethyl 2-[4-[2-[[2,4-bis(trifluoromethyl)phenyl]methyl-carbamothioylamino]ethyl]phenoxy]-2-methylpropanoate
Names & synonyms
ethyl 2-[4-(2-{(aminocarbonothioyl)[2,4-bis(trifluoromethyl)benzyl]amino}ethyl)phenoxy]-2-methylpropanoateSCHEMBL4575137
Database identifiers
- PubChem CID
- 59643200
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 738
Related reactions
5 records
Compound notes
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