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Basic information
- Standard SMILES
O=C(OCc1ccccc1)N1CCNCCN(C(=O)OCc2ccccc2)CCNCC1- InChIKey
XLXMYMNBHSMTEB-UHFFFAOYSA-N- Molecular formula
- C24H32N4O4
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.24235551
Names & identifiers
- Preferred name
- Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate
- IUPAC
- dibenzyl 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
Names & synonyms
Bis-Cbz-cyclen162148-45-0Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylateNSC6968441,4,7,10-Tetraazacyclododecane-1,7-bis(benzylcarbamide)dibenzyl 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylateorb2942320SCHEMBL3778880CHEMBL19648691,7-bis(benzyloxycarbonyl)-1,4,7,10-tetraazacyclododecaneXLXMYMNBHSMTEB-UHFFFAOYSA-NMGA14845
Show more names
MFCD27964188TSH-00146HY-W402032NSC-696844NCI60_034484SY286081CS-0513308G89602
Database identifiers
- PubChem CID
- 393883
- ChEMBL
CHEMBL1964869- Nikkaji
- J879.068J
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 490
Related reactions
1 records
Compound notes
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