Basic information
- CAS
726198-29-4- Standard SMILES
O=C(O)Cc1ccc(NC(=O)c2cnccn2)cc1- InChIKey
IXTIUOXYAHWKHR-UHFFFAOYSA-N- Molecular formula
- C13H11N3O3
- Average molar mass
- 257.24 g/mol
Names & identifiers
- Preferred name
- Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]-(9CI)
- IUPAC
- 2-[4-(pyrazine-2-carbonylamino)phenyl]acetic acid
- English name
- Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]- (9CI)
- Molecular formula
- C13H11N3O3
- Molecular weight
- 257.24474
Names & synonyms
726198-29-4Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]- (9CI)MLS000862326CHEMBL1573608HMS2626D18STK331025AKOS000151231SMR000300763DB-273960ST50941525{4-[(2-pyrazinylcarbonyl)amino]phenyl}acetic acidSR-01000292418
Show more names
2-(4-(pyrazine-2-carboxamido)phenyl)acetic acid2-[4-(pyrazine-2-carbonylamino)phenyl]acetic acid
{4-[(pyrazin-2-ylcarbonyl)amino]phenyl}acetic acid2-[4-(pyrazin-2-ylcarbonylamino)phenyl]acetic acidSR-01000292418-1BENZENEACETIC ACID, 4-[(PYRAZINYLCARBONYL)AMINO]-
Database identifiers
- CAS
726198-29-4- ChEMBL
CHEMBL1573608
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 327
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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