Basic information
- Standard SMILES
CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2nc(-c3cccc(Cl)c3)cs2)cc1- InChIKey
NISBZMPQXTWRCC-UHFFFAOYSA-N- Molecular formula
- C31H30ClF3N2O3S
- Average molar mass
- 603.1 g/mol
- Monoisotopic mass
- 602.1617762
Names & identifiers
- Preferred name
- Ethyl 2-[4-(2-{[4-(3-chlorophenyl)-1,3-thiazol-2-yl][4-(trifluoromethyl)benzyl]amino}ethyl)phenoxy]-2-methylpropanoate
- IUPAC
- ethyl 2-[4-[2-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-[[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]phenoxy]-2-methylpropanoate
Names & synonyms
ethyl 2-[4-(2-{[4-(3-chlorophenyl)-1,3-thiazol-2-yl][4-(trifluoromethyl)benzyl]amino}ethyl)phenoxy]-2-methylpropanoateSCHEMBL4575235
Database identifiers
- PubChem CID
- 69099537
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 819
Related reactions
1 records
Compound notes
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