Basic information
- CAS
892150-35-5- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(Br)cc(OC)c1OC- InChIKey
DELVMUPWFCJFST-UHFFFAOYSA-N- Molecular formula
- C19H22BrNO6
- Average molar mass
- 440.3 g/mol
- Monoisotopic mass
- 439.06305
Names & identifiers
- Preferred name
- Dimethyl 4-(5-BR-2,3-DI-meo-PH)-2,6-DI-ME-1,4-dihydro-3,5-pyridinedicarboxylate
- IUPAC
- dimethyl 4-(5-bromo-2,3-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
AKOS024405387DIMETHYL 4-(5-BR-2,3-DI-MEO-PH)-2,6-DI-ME-1,4-DIHYDRO-3,5-PYRIDINEDICARBOXYLATE
Database identifiers
- CAS
892150-35-5- PubChem CID
- 4609232
- EC Number
- 121-951-9
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 621
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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