[1-(4'-{4-[4-(4-Benzyl-phenyl)-1-hydroxy-butyl]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropyl]-acetic acid ethyl ester
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Basic information
- Standard SMILES
CCOC(=O)CC1(c2ccc(-c3ccc(-c4onc(C)c4C(O)CCCc4ccc(Cc5ccccc5)cc4)cc3)cc2)CC1- InChIKey
ARNSVUIXOLTHCF-UHFFFAOYSA-N- Molecular formula
- C40H41NO4
- Average molar mass
- 599.8 g/mol
Names & identifiers
- Preferred name
- [1-(4'-{4-[4-(4-Benzyl-phenyl)-1-hydroxy-butyl]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropyl]-acetic acid ethyl ester
- IUPAC
- ethyl 2-[1-[4-[4-[4-[4-(4-benzylphenyl)-1-hydroxybutyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropyl]acetate
Names & synonyms
SCHEMBL4185ARNSVUIXOLTHCF-UHFFFAOYSA-N[1-(4'-{4-[4-(4-Benzyl-phenyl)-1-hydroxy-butyl]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropyl]-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 66577652
Properties
Computed structural propertiesFilling in
- XLogP
- 8.9
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 890
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Related reactions
1 records
Compound notes
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