Basic information
- Standard SMILES
O=C(O)CCc1cn(Cc2ccc(OCc3csc(-c4cccs4)n3)cc2)cc1-c1ccccc1- InChIKey
SSVUQEIJENQZRG-UHFFFAOYSA-N- Molecular formula
- C28H24N2O3S2
- Average molar mass
- 500.6 g/mol
Names & identifiers
- Preferred name
- 3-[4-Phenyl-1-[4-[2-(2-thienyl)-4-thiazolylmethoxy]benzyl]-3-pyrrolyl]propionic acid
- IUPAC
- 3-[4-phenyl-1-[[4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrol-3-yl]propanoic acid
Names & synonyms
SCHEMBL5385312SSVUQEIJENQZRG-UHFFFAOYSA-N3-[4-phenyl-1-[4-[2-(2-thienyl)-4-thiazolylmethoxy]benzyl]-3-pyrrolyl]propionic acid
Database identifiers
- PubChem CID
- 69423917
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 669
Related reactions
2 records
Compound notes
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