methyl 4-[[5-(2-acetamido-3-methoxy-3-oxopropyl)-1H-imidazol-4-yl]diazenyl]benzoate
Basic information
- CAS
39037-17-7- Standard SMILES
COC(=O)c1ccc(N=Nc2nc[nH]c2CC(NC(C)=O)C(=O)OC)cc1- InChIKey
WIJCHHFOCOXXRA-UHFFFAOYSA-N- Molecular formula
- C17H19N5O5
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.13861872
Names & identifiers
- Preferred name
- methyl 4-[[5-(2-acetamido-3-methoxy-3-oxopropyl)-1H-imidazol-4-yl]diazenyl]benzoate
- IUPAC
- methyl 4-[[5-(2-acetamido-3-methoxy-3-oxopropyl)-1H-imidazol-4-yl]diazenyl]benzoate
Names & synonyms
NSC23207039037-17-7DTXSID80430200NSC-232070Methyl 4-{(2Z)-2-[5-(2-acetamido-3-methoxy-3-oxopropyl)-4H-imidazol-4-ylidene]hydrazin-1-yl}benzoate
Database identifiers
- CAS
39037-17-7- PubChem CID
- 314538
- DTXSID
DTXSID80430200
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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