2-[2-Formyloxyethyl-[2-(2-nitroimidazol-1-yl)acetyl]amino]ethyl formate

HCID 433385

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Basic information

CAS: 81892-70-8
Standard SMILES: O=COCCN(CCOC=O)C(=O)Cn1ccnc1[N+](=O)[O-]
InChIKey: BAXYKEVYPIJSLK-UHFFFAOYSA-N
Molecular formula: C11H14N4O7
Average molar mass: 314.25 g/mol
Monoisotopic mass: 314.0862488

Names & identifiers

Preferred name: 2-[2-Formyloxyethyl-[2-(2-nitroimidazol-1-yl)acetyl]amino]ethyl formate
IUPAC: 2-[2-formyloxyethyl-[2-(2-nitroimidazol-1-yl)acetyl]amino]ethyl formate

Names & synonyms

81892-70-82-[2-formyloxyethyl-[2-(2-nitroimidazol-1-yl)acetyl]amino]ethyl formateNSC328807DTXSID80330892NSC-328807DS-003847{[(2-Nitro-1H-imidazol-1-yl)acetyl]azanediyl}di(ethane-2,1-diyl) diformate

Database identifiers

CAS: 81892-70-8
PubChem CID: 433385
DTXSID: DTXSID80330892

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 137 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 10
Heavy atoms: 22
Formal charge: 0
Complexity: 386

Experimental & physicochemical properties

LogP-1.66

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