Barbituric acid, 5-allyl-1-benzyl-3-(2-(dimethylamino)ethyl)-5-phenyl-, hydrochloride
Basic information
- CAS
78109-66-7- Standard SMILES
C=CCC1(c2ccccc2)C(=O)N(CC[NH+](C)C)C(=O)N(Cc2ccccc2)C1=O.[Cl-]- InChIKey
WCQMBGAUUHWVDQ-UHFFFAOYSA-N- Molecular formula
- C24H28ClN3O3
- Average molar mass
- 441.9 g/mol
- Monoisotopic mass
- 441.1819195
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-1-benzyl-3-(2-(dimethylamino)ethyl)-5-phenyl-, hydrochloride
- IUPAC
- 2-(3-benzyl-2,4,6-trioxo-5-phenyl-5-prop-2-enyl-1,3-diazinan-1-yl)ethyl-dimethylazanium chloride
Names & synonyms
BB 30Barbituric acid, 5-allyl-1-benzyl-3-(2-(dimethylamino)ethyl)-5-phenyl-, hydrochloride78109-66-7RefChem:320736
Database identifiers
- CAS
78109-66-7- PubChem CID
- 54057
Properties
Computed structural properties
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 650
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Compound notes
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