Basic information
- Standard SMILES
CC(Cl)=CCNC(C(=O)OCc1cccc(C(=O)c2ccccc2)n1)C(C)C- InChIKey
ZAXGADPLYDPTPC-UHFFFAOYSA-N- Molecular formula
- C22H25ClN2O3
- Average molar mass
- 400.9 g/mol
Names & identifiers
- Preferred name
- (6-benzoyl-2-pyridyl)methyl 2-[N-(3-chloro-2-butenyl)amino]-3-methylbutanoate
- IUPAC
- (6-benzoyl-2-pyridinyl)methyl 2-(3-chlorobut-2-enylamino)-3-methylbutanoate
Names & synonyms
SCHEMBL11069825ZAXGADPLYDPTPC-UHFFFAOYSA-N(6-benzoyl-2-pyridyl)methyl 2-[N-(3-chloro-2-butenyl)amino]-3-methylbutanoate
Database identifiers
- PubChem CID
- 54537610
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 544
Related reactions
3 records
Compound notes
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