Poly(oxy-1,2-ethanediyl), I+/--[2-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]ethyl]-I-([2,2a(2):6a(2),2a(2)a(2)-terpyridin]-4a(2)-yloxy)-
Basic information
- CAS
481628-75-5- Standard SMILES
O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1- InChIKey
NQXUASGLEOFBEW-UHFFFAOYSA-N- Molecular formula
- C29H34N6O4S
- Average molar mass
- 562.7 g/mol
- Monoisotopic mass
- 562.23622476
Names & identifiers
- Preferred name
- Poly(oxy-1,2-ethanediyl), I+/--[2-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]ethyl]-I-([2,2a(2):6a(2),2a(2)a(2)-terpyridin]-4a(2)-yloxy)-
- IUPAC
- N-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
Names & synonyms
DTXSID701099704481628-75-5Poly(oxy-1,2-ethanediyl), I+/--[2-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]ethyl]-I-([2,2a(2):6a(2),2a(2)a(2)-terpyridin]-4a(2)-yloxy)-
Database identifiers
- CAS
481628-75-5- PubChem CID
- 165366296
- DTXSID
DTXSID701099704
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 782
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Compound notes
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