Barbituric acid, 5-allyl-1-benzyl-3-(2-piperidinoethyl)-5-isopropyl-, hydrobromide
Basic information
- CAS
78109-68-9- Standard SMILES
C=CCC1(C(C)C)C(=O)N(CC[NH+]2CCCCC2)C(=O)N(Cc2ccccc2)C1=O.[Br-]- InChIKey
OTIBKFDPUXZTBX-UHFFFAOYSA-N- Molecular formula
- C24H34BrN3O3
- Average molar mass
- 492.4 g/mol
- Monoisotopic mass
- 491.17835
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-1-benzyl-3-(2-piperidinoethyl)-5-isopropyl-, hydrobromide
- IUPAC
- 1-benzyl-3-(2-piperidin-1-ium-1-ylethyl)-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione bromide
Names & synonyms
BB 40Barbituric acid, 5-allyl-1-benzyl-3-(2-piperidinoethyl)-5-isopropyl-, hydrobromide78109-68-9RefChem:320738
Database identifiers
- CAS
78109-68-9- PubChem CID
- 54061
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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