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Basic information
- Standard SMILES
O=C(CN1CCN(C(=O)OCc2ccccc2)CCN(CC(=O)N2CCCCC2)CCN(C(=O)OCc2ccccc2)CC1)N1CCCCC1- InChIKey
ATBIKWDPTMANRY-UHFFFAOYSA-N- Molecular formula
- C38H54N6O6
- Average molar mass
- 690.9 g/mol
- Monoisotopic mass
- 690.41048346
Names & identifiers
- Preferred name
- Dibenzyl 4,10-bis(2-oxo-2-(1-piperidinyl)ethyl)-1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate
- IUPAC
- dibenzyl 4,10-bis(2-oxo-2-piperidin-1-ylethyl)-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
Names & synonyms
NSC696851CHEMBL1985215NSC-696851NCI60_034491Dibenzyl 4,10-bis(2-oxo-2-(1-piperidinyl)ethyl)-1,4,7,10-tetraazacyclododecane-1,7-dicarboxylatedibenzyl 4,10-bis[2-oxo-2-(1-piperidyl)ethyl]-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
Database identifiers
- PubChem CID
- 393891
- ChEMBL
CHEMBL1985215
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 956
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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