Basic information
- Standard SMILES
COc1cc(CC(=O)N2CCCC2C#Cc2ccc(C(=O)O)cc2)ccc1NC(=O)Nc1ccccc1F- InChIKey
ZECKHRUQBCCSHG-UHFFFAOYSA-N- Molecular formula
- C29H26FN3O5
- Average molar mass
- 515.5 g/mol
Names & identifiers
- Preferred name
- 4-[2-[1-[4-[N'-(2-fluorophenyl)ureido)-3-methoxyphenylacetyl]-2-pyrrolidinyl]ethynyl]benzoic Acid
- IUPAC
- 4-[2-[1-[2-[4-[(2-fluorophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidin-2-yl]ethynyl]benzoic acid
Names & synonyms
SCHEMBL5156653ZECKHRUQBCCSHG-UHFFFAOYSA-N4-[2-[1-[4-[N'-(2-fluorophenyl)ureido)-3-methoxyphenylacetyl]-2-pyrrolidinyl]ethynyl]benzoic Acid
Database identifiers
- PubChem CID
- 9849385
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 908
Related reactions
2 records
Compound notes
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