2-[4-Bromo-2-methoxycarbonyl-5-[3-[methylcarbamoyl-(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]thiophen-3-yl]oxyacetic acid
Basic information
- Standard SMILES
CNC(=O)N(c1cccc(-c2sc(C(=O)OC)c(OCC(=O)O)c2Br)c1)C1CC(C)(C)CC(C)(C)C1- InChIKey
VEHDZMGSNMSHDK-UHFFFAOYSA-N- Molecular formula
- C26H33BrN2O6S
- Average molar mass
- 581.5 g/mol
- Monoisotopic mass
- 580.12427
Names & identifiers
- Preferred name
- 2-[4-Bromo-2-methoxycarbonyl-5-[3-[methylcarbamoyl-(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]thiophen-3-yl]oxyacetic acid
- IUPAC
- 2-[4-bromo-2-methoxycarbonyl-5-[3-[methylcarbamoyl-(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]thiophen-3-yl]oxyacetic acid
Names & synonyms
SCHEMBL3906437
Database identifiers
- PubChem CID
- 57640906
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 808
Related reactions
1 records
Compound notes
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