Basic information
- CAS
39760-19-5- Standard SMILES
C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(Br)c(OC)c(OC)c1- InChIKey
LAJPPZUEVBJUTL-UHFFFAOYSA-N- Molecular formula
- C21H24BrNO6
- Average molar mass
- 466.3 g/mol
- Monoisotopic mass
- 465.0787
Names & identifiers
- Preferred name
- Methyl prop-2-en-1-yl 4-(3-bromo-4,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- 3-O-methyl 5-O-prop-2-enyl 4-(3-bromo-4,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
DTXSID1096034839760-19-5Methyl prop-2-en-1-yl 4-(3-bromo-4,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateRefChem:1089633DTXCID9013882083,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-bromo-4,5-dimethoxyphenyl)-2,6-dimethyl-, methyl 2-propenyl esterSCHEMBL11783892
Database identifiers
- CAS
39760-19-5- PubChem CID
- 217867
- DTXSID
DTXSID10960348
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 716
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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