Basic information
- Standard SMILES
Cc1cccc(COC2CCCC(OCc3nc(-c4cccc(Br)c4)oc3C)C2)c1C(=O)O- InChIKey
XQBMUJQVFFHNIO-UHFFFAOYSA-N- Molecular formula
- C26H28BrNO5
- Average molar mass
- 514.4 g/mol
- Monoisotopic mass
- 513.11509
Names & identifiers
- Preferred name
- 2-{3-(2-(3-Bromophenyl)-5-methyloxazol-4-ylmethoxy]cyclohexyloxymethyl}-6-methylbenzoic acid
- IUPAC
- 2-[[3-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid
Names & synonyms
2-{3-(2-(3-bromophenyl)-5-methyloxazol-4-ylmethoxy]cyclohexyloxymethyl}-6-methylbenzoic acid2-{3-[2-(3-Bromophenyl)-5-methyloxazol-4-ylmethoxy]cyclohexyloxymethyl}-6-methylbenzoic AcidSCHEMBL4837188XQBMUJQVFFHNIO-UHFFFAOYSA-N2-{3-[2-(3-Bromophenyl )-5-methyloxazol-4-ylmethoxyjcyclohexyloxymethyl}-6-methylbenzoic Acid
Database identifiers
- PubChem CID
- 22493653
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 636
Related reactions
7 records
Compound notes
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