3,5-Dimethyl 1,4-dihydro-2,6-dimethyl-4-(1-methyl-5-nitro-1H-imidazol-2-yl)-3,5-pyridinedicarboxylate
Basic information
- CAS
135782-32-0- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ncc([N+](=O)[O-])n1C- InChIKey
CRDHSFBPAWMDCD-UHFFFAOYSA-N- Molecular formula
- C15H18N4O6
- Average molar mass
- 350.33 g/mol
- Monoisotopic mass
- 350.12263431
Names & identifiers
- Preferred name
- 3,5-Dimethyl 1,4-dihydro-2,6-dimethyl-4-(1-methyl-5-nitro-1H-imidazol-2-yl)-3,5-pyridinedicarboxylate
- IUPAC
- dimethyl 2,6-dimethyl-4-(1-methyl-5-nitroimidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
DTXSID401113222135782-32-03,5-Dimethyl 1,4-dihydro-2,6-dimethyl-4-(1-methyl-5-nitro-1H-imidazol-2-yl)-3,5-pyridinedicarboxylateDimethyl 2,6-dimethyl-4-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Database identifiers
- CAS
135782-32-0- PubChem CID
- 11089415
- DTXSID
DTXSID401113222
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 627
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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