Methyl 4-{(2E)-2-[4-(2-acetamido-3-methoxy-3-oxopropyl)-5-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-2H-imidazol-2-ylidene]hydrazinyl}benzoate
Basic information
- CAS
39037-20-2- Standard SMILES
COC(=O)c1ccc(N=Nc2nc(N=Nc3ccc(C(=O)OC)cc3)c(CC(NC(C)=O)C(=O)OC)[nH]2)cc1- InChIKey
NNWVIMAMWWWDMF-UHFFFAOYSA-N- Molecular formula
- C25H25N7O7
- Average molar mass
- 535.5 g/mol
- Monoisotopic mass
- 535.18154616
Names & identifiers
- Preferred name
- Methyl 4-{(2E)-2-[4-(2-acetamido-3-methoxy-3-oxopropyl)-5-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-2H-imidazol-2-ylidene]hydrazinyl}benzoate
- IUPAC
- methyl 4-[[5-(2-acetamido-3-methoxy-3-oxopropyl)-2-[(4-methoxycarbonylphenyl)diazenyl]-1H-imidazol-4-yl]diazenyl]benzoate
Names & synonyms
39037-20-2NSC232069DTXSID30418351NSC-232069Methyl 4-{(2E)-2-[4-(2-acetamido-3-methoxy-3-oxopropyl)-5-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-2H-imidazol-2-ylidene]hydrazinyl}benzoateMethyl 4-{(2E)-2-[4-(2-acetamido-3-methoxy-3-oxopropyl)-5-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-2H-imidazol-2-ylidene]hydrazin-1-yl}benzoate
Database identifiers
- CAS
39037-20-2- PubChem CID
- 314537
- DTXSID
DTXSID30418351
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 914
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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