Basic information
- CAS
77386-89-1- Standard SMILES
CCOC(=O)CC(NC(=O)c1ccc(N=NN(C)C)cc1)C(=O)OCC- InChIKey
SLCZGQFZBZOEBG-UHFFFAOYSA-N- Molecular formula
- C17H24N4O5
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.17466988
Names & identifiers
- Preferred name
- ASPARTIC ACID, N-(p-(3,3-DIMETHYLTRIAZENO)BENZOYL)-, DIETHYL ESTER, DL-
- IUPAC
- diethyl 2-[[4-(dimethylaminodiazenyl)benzoyl]amino]butanedioate
Names & synonyms
NSC651353ASPARTIC ACID, N-(p-(3,3-DIMETHYLTRIAZENO)BENZOYL)-, DIETHYL ESTER, DL-DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)asparatic acid diethyl ester77386-89-1CHEMBL1985998NSC-651353NCI60_017947diethyl 2-[[4-[(E)-dimethylaminoazo]benzoyl]amino]butanedioateDiethyl 2-((4-(3,3-dimethyl-1-triazenyl)benzoyl)amino)succinate
Database identifiers
- CAS
77386-89-1- PubChem CID
- 53660
- ChEMBL
CHEMBL1985998
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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