Dimethyl 1-[[4-[[4,5-bis(methoxycarbonyl)triazol-1-yl]methyl]phenyl]methyl]triazole-4,5-dicarboxylate
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Basic information
- CAS
137959-26-3- Standard SMILES
COC(=O)c1nnn(Cc2ccc(Cn3nnc(C(=O)OC)c3C(=O)OC)cc2)c1C(=O)OC- InChIKey
MWMKTIBMWLPQNW-UHFFFAOYSA-N- Molecular formula
- C20H20N6O8
- Average molar mass
- 472.4 g/mol
Names & identifiers
- Preferred name
- Dimethyl 1-[[4-[[4,5-bis(methoxycarbonyl)triazol-1-yl]methyl]phenyl]methyl]triazole-4,5-dicarboxylate
- IUPAC
- dimethyl 1-[[4-[[4,5-bis(methoxycarbonyl)triazol-1-yl]methyl]phenyl]methyl]triazole-4,5-dicarboxylate
- English name
- dimethyl 1-(4-{[4,5-bis(methoxycarbonyl)-1H-1,2,3-triazol-1-yl]methyl}benzyl)-1H-1,2,3-triazole-4,5-dicarboxylate
- Molecular formula
- C20H20N6O8
- Molecular weight
- 472.4082
Names & synonyms
dimethyl 1-(4-{[4,5-bis(methoxycarbonyl)-1H-1,2,3-triazol-1-yl]methyl}benzyl)-1H-1,2,3-triazole-4,5-dicarboxylatedimethyl 1-[[4-[[4,5-bis(methoxycarbonyl)triazol-1-yl]methyl]phenyl]methyl]triazole-4,5-dicarboxylateAP-006/15413011
Database identifiers
- CAS
137959-26-3
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 699
Related reactions
0 records
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Compound notes
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