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Basic information
- Standard SMILES
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)O)c(CN(C)C(=O)c2cc(Cl)sc2Cl)c1- InChIKey
MWDZUPMWXANCPI-UHFFFAOYSA-N- Molecular formula
- C28H26Cl2N2O5S
- Average molar mass
- 573.5 g/mol
- Monoisotopic mass
- 572.0939485
Names & identifiers
- Preferred name
- 3-{2-{[(2,5-Dichloro-thiophene-3-carbonyl)-methyl-amino]-methyl}-4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid
- IUPAC
- 3-[2-[[(2,5-dichlorothiophene-3-carbonyl)-methylamino]methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
Names & synonyms
SCHEMBL4885949MWDZUPMWXANCPI-UHFFFAOYSA-N3-{2-{[(2,5-Dichloro-thiophene-3-carbonyl)-methyl-amino]-methyl}-4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid
Database identifiers
- PubChem CID
- 17984331
Properties
Computed structural propertiesFilling in
- XLogP
- 6.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 788
Related reactions
2 records
Compound notes
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