Basic information
- CAS
79126-29-7- Standard SMILES
CC(=O)Nc1ccc(OC(=O)c2ccc(N=C(N)N)cc2)cc1- InChIKey
VACGBZYEDFQOIU-UHFFFAOYSA-N- Molecular formula
- C16H16N4O3
- Average molar mass
- 312.32 g/mol
- Monoisotopic mass
- 312.12224039
Names & identifiers
- Preferred name
- 4'-Acetamidophenyl 4-guanidinobenzoate
- IUPAC
- (4-acetamidophenyl) 4-(diaminomethylideneamino)benzoate
- English name
- 4'-acetamidophenyl 4-guanidinobenzoate
- Molecular weight
- 0
Names & synonyms
79126-29-74'-Aagb4'-Acetamidophenyl 4-guanidinobenzoateDTXSID50229547RefChem:95912DTXCID00152038Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(acetylamino)phenyl esterBenzoic acid,4-[(aminoiminomethyl)amino]-, 4-(acetylamino)phenyl esterSCHEMBL3675089CHEMBL1189602ZINC038709904'-Acetoamidophenyl 4-guadinobenzoate
Show more names
(4-acetamidophenyl) 4-guanidinobenzoate4-Acetamidophenyl 4-[(diaminomethylidene)amino]benzoate
Database identifiers
- CAS
79126-29-7- PubChem CID
- 1718
- DTXSID
DTXSID50229547- ChEMBL
CHEMBL1189602- Nikkaji
- J1.291.584E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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