3-[N'-(2-bromophenyl)ureido]-2-methoxy-6-pyridylacetic acid
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Basic information
- Standard SMILES
COc1nc(CC(=O)O)ccc1NC(=O)Nc1ccccc1Br- InChIKey
MRSPWJFQGHOFGO-UHFFFAOYSA-N- Molecular formula
- C15H14BrN3O4
- Average molar mass
- 380.19 g/mol
- Monoisotopic mass
- 379.01677
Names & identifiers
- Preferred name
- 3-[N'-(2-bromophenyl)ureido]-2-methoxy-6-pyridylacetic acid
- IUPAC
- 2-[5-[(2-bromophenyl)carbamoylamino]-6-methoxy-2-pyridinyl]acetic acid
Names & synonyms
SCHEMBL5153108MRSPWJFQGHOFGO-UHFFFAOYSA-N3-[N'-(2-bromophenyl)ureido]-2-methoxy-6-pyridylacetic acid
Database identifiers
- PubChem CID
- 69333397
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 424
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Related reactions
3 records
Compound notes
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