Basic information
- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1cccc2nonc12- InChIKey
UEWBOCRHFMPKPM-UHFFFAOYSA-N- Molecular formula
- C20H23N3O5
- Average molar mass
- 385.4 g/mol
Names & identifiers
- Preferred name
- 4-(2,1,3-Benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3-methoxy carbonyl-pyridine-5-carboxylic acid isobutyl ester
- IUPAC
- 3-O-methyl 5-O-(2-methylpropyl) 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL7344941UEWBOCRHFMPKPM-UHFFFAOYSA-N4-(2,1,3-Benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3-methoxy carbonyl-pyridine-5-carboxylic acid isobutyl ester
Database identifiers
- PubChem CID
- 13231102
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 700
Related reactions
1 records
Compound notes
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