1-Methyl-3-{N-[beta-(3,4-dipivalyloxyphenyl)ethyl]}carbamoyl-1,4-dihydropyridine
Basic information
- Standard SMILES
CN1C=CCC(C(=O)NCCc2ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c2)=C1- InChIKey
DHLMADRPASTSDQ-UHFFFAOYSA-N- Molecular formula
- C25H34N2O5
- Average molar mass
- 442.5 g/mol
Names & identifiers
- Preferred name
- 1-Methyl-3-{N-[beta-(3,4-dipivalyloxyphenyl)ethyl]}carbamoyl-1,4-dihydropyridine
- IUPAC
- [2-(2,2-dimethylpropanoyloxy)-4-[2-[(1-methyl-4H-pyridine-3-carbonyl)amino]ethyl]phenyl] 2,2-dimethylpropanoate
Names & synonyms
CHEMBL148946SCHEMBL8510189DHLMADRPASTSDQ-UHFFFAOYSA-N1-Methyl-3-{N-[beta-(3,4-dipivalyloxyphenyl)ethyl]}carbamoyl-1,4-dihydropyridine
Database identifiers
- PubChem CID
- 10072052
- ChEMBL
CHEMBL148946
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 757
Related reactions
11 records
Compound notes
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