Diethyl n-{4-[(1e)-3-(2-hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzoyl}glutamate
Basic information
- CAS
34136-26-0- Standard SMILES
CCOC(=O)CCC(NC(=O)c1ccc(N=NN(C)CCO)cc1)C(=O)OCC- InChIKey
KRWCIVGSHGBHCI-UHFFFAOYSA-N- Molecular formula
- C19H28N4O6
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.20088463
Names & identifiers
- Preferred name
- Diethyl n-{4-[(1e)-3-(2-hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzoyl}glutamate
- IUPAC
- diethyl 2-[[4-[[2-hydroxyethyl(methyl)amino]diazenyl]benzoyl]amino]pentanedioate
Names & synonyms
34136-26-0NSC95442diethyl n-{4-[(1e)-3-(2-hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzoyl}glutamateDTXSID80294243NSC-95442
Database identifiers
- CAS
34136-26-0- PubChem CID
- 262109
- DTXSID
DTXSID80294243
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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