5-Cyclobutyl 3-methyl 4-(2,3-dichlorophenyl)-2-(fluoromethyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate
Basic information
- Standard SMILES
COC(=O)C1=C(CF)NC(C)=C(C(=O)OC2CCC2)C1c1cccc(Cl)c1Cl- InChIKey
JXMPJAXWCQRPGO-UHFFFAOYSA-N- Molecular formula
- C20H20Cl2FNO4
- Average molar mass
- 428.3 g/mol
Names & identifiers
- Preferred name
- 5-Cyclobutyl 3-methyl 4-(2,3-dichlorophenyl)-2-(fluoromethyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate
- IUPAC
- 5-O-cyclobutyl 3-O-methyl 4-(2,3-dichlorophenyl)-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL7429685JXMPJAXWCQRPGO-UHFFFAOYSA-N5-Cyclobutyl 3-methyl 4-(2,3-dichlorophenyl)-2-(fluoromethyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate
Database identifiers
- PubChem CID
- 70089752
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 704
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…