ethyl 2-[[(5-carbamoyl-1H-imidazol-4-yl)amino]diazenyl]-3-phenylpropanoate
Basic information
- CAS
3413-79-4- Standard SMILES
CCOC(=O)C(Cc1ccccc1)N=NNc1nc[nH]c1C(N)=O- InChIKey
MFNHODLMIRNOJB-UHFFFAOYSA-N- Molecular formula
- C15H18N6O3
- Average molar mass
- 330.34 g/mol
- Monoisotopic mass
- 330.14403846
Names & identifiers
- Preferred name
- ethyl 2-[[(5-carbamoyl-1H-imidazol-4-yl)amino]diazenyl]-3-phenylpropanoate
- IUPAC
- ethyl 2-[[(5-carbamoyl-1H-imidazol-4-yl)amino]diazenyl]-3-phenylpropanoate
Names & synonyms
NSC759483413-79-4DTXSID40422146NSC-75948DS-006949Ethyl 2-[(3Z)-3-(5-carbamoyl-4H-imidazol-4-ylidene)triazan-1-yl]-3-phenylpropanoateBENZENEPROPANOIC ACID, A-[3-[5-(AMINOCARBONYL)-1H-IMIDAZOL-4-YL]-1-TRIAZENYL]-, ETHYL ESTER(9CI)
Database identifiers
- CAS
3413-79-4- PubChem CID
- 253266
- DTXSID
DTXSID40422146
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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