2-Methyl-2-[3-({methyl-[2-methyl-6-(4-trifluoromethyl-phenyl)-pyridine-3-carbonyl]-amino}-methyl)-phenoxy]-propionic acid ethyl ester
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Basic information
- Standard SMILES
CCOC(=O)C(C)(C)Oc1cccc(CN(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)nc2C)c1- InChIKey
MMHRJKLGAQHVNT-UHFFFAOYSA-N- Molecular formula
- C28H29F3N2O4
- Average molar mass
- 514.5 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-2-[3-({methyl-[2-methyl-6-(4-trifluoromethyl-phenyl)-pyridine-3-carbonyl]-amino}-methyl)-phenoxy]-propionic acid ethyl ester
- IUPAC
- ethyl 2-methyl-2-[3-[[methyl-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]phenoxy]propanoate
Names & synonyms
2-methyl-2-[3-({methyl-[2-methyl-6-(4-trifluoromethyl-phenyl)-pyridine-3-carbonyl]-amino}-methyl)-phenoxy]-propionic acid ethyl esterSCHEMBL1548887
Database identifiers
- PubChem CID
- 67072012
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 767
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Related reactions
2 records
Compound notes
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