Basic information
- Standard SMILES
CCOC(=O)CC(NC(=O)c1cccc(NCc2ccc(C=NN)cc2)c1)c1cccnc1- InChIKey
XVDSYJDHLVOYJU-UHFFFAOYSA-N- Molecular formula
- C25H27N5O3
- Average molar mass
- 445.5 g/mol
Names & identifiers
- Preferred name
- Ethyl beta-[[3-[4-(aminoiminomethyl)benzyl]aminobenzoyl]amino]3-pyridine-propanoate
- IUPAC
- ethyl 3-[[3-[(4-methanehydrazonoylphenyl)methylamino]benzoyl]amino]-3-pyridin-3-ylpropanoate
Names & synonyms
XVDSYJDHLVOYJU-UHFFFAOYSA-NEthyl beta-[[3-[4-(aminoiminomethyl)benzyl]aminobenzoyl]amino]3-pyridine-propanoate
Database identifiers
- PubChem CID
- 86751963
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 636
Related reactions
2 records
Compound notes
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