Basic information
- Standard SMILES
CN(C)c1ccc(C(=O)c2ccc(N)cc2C(=O)O)c(N(C)C)c1- InChIKey
MWVFWSLGHWEMRQ-UHFFFAOYSA-N- Molecular formula
- C18H21N3O3
- Average molar mass
- 327.4 g/mol
Names & identifiers
- Preferred name
- 2-(2,4-Bis(dimethylamino)benzoyl)5-aminobenzoic acid
- IUPAC
- 5-amino-2-[2,4-bis(dimethylamino)benzoyl]benzoic acid
Names & synonyms
SCHEMBL11437860MWVFWSLGHWEMRQ-UHFFFAOYSA-N2-(2,4-bis(dimethylamino)benzoyl)5-aminobenzoic acid2-(2,4-bis(dimethylamino)benzoyl)-5-aminobenzoic acid
Database identifiers
- PubChem CID
- 23343370
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 466
Related reactions
7 records
Compound notes
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