Diethyl 5,5-dimethyl-3-(4-nitrophenyl)-7-phenyl-5,7a-dihydro-1h-imidazo[5,1-c][1,2,4]triazole-1,2(3h)-dicarboxylate
Basic information
- CAS
15757-49-0- Standard SMILES
CCOC(=O)N1C2C(c3ccccc3)=NC(C)(C)N2C(c2ccc([N+](=O)[O-])cc2)N1C(=O)OCC- InChIKey
UYISKVGFDIRBAZ-UHFFFAOYSA-N- Molecular formula
- C24H27N5O6
- Average molar mass
- 481.5 g/mol
- Monoisotopic mass
- 481.1961336
Names & identifiers
- Preferred name
- Diethyl 5,5-dimethyl-3-(4-nitrophenyl)-7-phenyl-5,7a-dihydro-1h-imidazo[5,1-c][1,2,4]triazole-1,2(3h)-dicarboxylate
- IUPAC
- diethyl 5,5-dimethyl-3-(4-nitrophenyl)-7-phenyl-3,7a-dihydroimidazo[5,1-c][1,2,4]triazole-1,2-dicarboxylate
Names & synonyms
NSC11157415757-49-0diethyl 5,5-dimethyl-3-(4-nitrophenyl)-7-phenyl-3,7a-dihydroimidazo[5,1-c][1,2,4]triazole-1,2-dicarboxylatediethyl 5,5-dimethyl-3-(4-nitrophenyl)-7-phenyl-5,7a-dihydro-1h-imidazo[5,1-c][1,2,4]triazole-1,2(3h)-dicarboxylateDTXSID90296793NSC-1115741H-Imidazo[5,1-c]-1,2,4-triazole-1,2(3H)-dicarboxylic acid, 5,7a-dihydro-5,5-dimethyl-3-(4-nitrophenyl)-7-phenyl-, diethyl ester
Database identifiers
- CAS
15757-49-0- PubChem CID
- 269882
- DTXSID
DTXSID90296793
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 844
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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