Basic information
- Standard SMILES
CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4CSCCc4ccccc4)cc3)cc2)CC1- InChIKey
KZLXLTBTCSQVIT-UHFFFAOYSA-N- Molecular formula
- C31H31NO3S
- Average molar mass
- 497.6 g/mol
- Monoisotopic mass
- 497.20246502
Names & identifiers
- Preferred name
- 1-[4'-(3-Methyl-4-phenethylsulfanylmethyl-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester
- IUPAC
- ethyl 1-[4-[4-[3-methyl-4-(2-phenylethylsulfanylmethyl)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
Names & synonyms
SCHEMBL987KZLXLTBTCSQVIT-UHFFFAOYSA-N1-[4'-(3-Methyl-4-phenethylsulfanylmethyl-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 66577202
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 690
Related reactions
6 records
Compound notes
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