Basic information
- Standard SMILES
CC(C)CCN(Cc1ccc(COc2ccc(CCC(=O)O)cc2)cc1)c1nc(C(C)C)cs1- InChIKey
RRWZODYXVOGKGX-UHFFFAOYSA-N- Molecular formula
- C28H36N2O3S
- Average molar mass
- 480.7 g/mol
Names & identifiers
- Preferred name
- 3-{4-[(4-{[(4-Isopropyl-1,3-thiazol-2-yl)(3-methylbutyl)amino]methyl}benzyl)oxy]phenyl}propanoic acid
- IUPAC
- 3-[4-[[4-[[3-methylbutyl-(4-propan-2-yl-1,3-thiazol-2-yl)amino]methyl]phenyl]methoxy]phenyl]propanoic acid
Names & synonyms
SCHEMBL1746887RRWZODYXVOGKGX-UHFFFAOYSA-N3-{4-[(4-{[(4-isopropyl-1,3-thiazol-2-yl)(3-methylbutyl)amino]methyl}benzyl)oxy]phenyl}propanoic acid
Database identifiers
- PubChem CID
- 57541972
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 586
Related reactions
2 records
Compound notes
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