1,9,13-Trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone

HCID 580968

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Basic information

CAS: 79688-15-6
Standard SMILES: O=C1CCC(=O)OCCCOC(=O)CCC(=O)NCCOCCN1
InChIKey: MUJAQADFBQTWFF-UHFFFAOYSA-N
Molecular formula: C15H24N2O7
Average molar mass: 344.36 g/mol
Monoisotopic mass: 344.15835111

Names & identifiers

Preferred name: 1,9,13-Trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone
IUPAC: 1,9,13-trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone

Names & synonyms

1,9,13-Trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone79688-15-6DTXSID90342340RefChem:221925DTXCID50293420MUJAQADFBQTWFF-UHFFFAOYSA-N1,5,13-Trioxa-10,16-diazacycloeicosane-6,9,17,20-tetrone1,9,13-Trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone #

Database identifiers

CAS: 79688-15-6
PubChem CID: 580968
DTXSID: DTXSID90342340

Properties

Computed structural properties

XLogP: -1.6
Topological polar surface area: 120 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 0
Heavy atoms: 24
Formal charge: 0
Complexity: 402

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