N-[4-acetamido-2,5-bis(2,2-dimethylaziridin-1-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl]acetamide
Basic information
- CAS
57998-75-1- Standard SMILES
CC(=O)NC1=C(N2CC2(C)C)C(=O)C(NC(C)=O)=C(N2CC2(C)C)C1=O- InChIKey
KWGWVEKYUCKHTC-UHFFFAOYSA-N- Molecular formula
- C18H24N4O4
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.17975526
Names & identifiers
- Preferred name
- N-[4-acetamido-2,5-bis(2,2-dimethylaziridin-1-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl]acetamide
- IUPAC
- N-[4-acetamido-2,5-bis(2,2-dimethylaziridin-1-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl]acetamide
Names & synonyms
57998-75-1NSC199377N-[4-acetamido-2,5-bis(2,2-dimethylaziridin-1-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl]acetamideCHEMBL3274890DTXSID90307959NSC-199377N,N'-[2,5-Bis(2,2-dimethylaziridin-1-yl)-3,6-dioxocyclohexa-1,4-diene-1,4-diyl]diacetamide
Database identifiers
- CAS
57998-75-1- PubChem CID
- 304607
- DTXSID
DTXSID90307959- ChEMBL
CHEMBL3274890
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 751
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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