Basic information
- Standard SMILES
CCOC(=O)CC1(c2ccc(-c3ccc(-c4onc(C)c4NC(C)Cc4ccc(OCc5ccc(C(F)(F)F)cc5)cc4)cc3)cc2)CC1- InChIKey
IUTJRJSEXGZBQK-UHFFFAOYSA-N- Molecular formula
- C40H39F3N2O4
- Average molar mass
- 668.7 g/mol
- Monoisotopic mass
- 668.28619222
Names & identifiers
- Preferred name
- {1-[4'-(3-Methyl-4-{1-methyl-2-[4-(4-trifluoromethyl-benzyloxy)-phenyl]-ethylamino}-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropyl}-acetic acid ethyl ester
- IUPAC
- ethyl 2-[1-[4-[4-[3-methyl-4-[1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-ylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropyl]acetate
Names & synonyms
{1-[4'-(3-Methyl-4-{1-methyl-2-[4-(4-trifluoromethyl-benzyloxy)-phenyl]-ethylamino}-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropyl}-acetic acid ethyl esterSCHEMBL4298
Database identifiers
- PubChem CID
- 66577667
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
1 records
Compound notes
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