Basic information
- CAS
73680-96-3- Standard SMILES
C=CCC1(c2ccccc2)C(=O)NC(=O)N(Cc2ccccc2)C1=O- InChIKey
OSAVECUEMKXBPU-UHFFFAOYSA-N- Molecular formula
- C20H18N2O3
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.13174244
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-1-benzyl-5-phenyl-
- IUPAC
- 1-benzyl-5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Allyl-1-benzyl-5-phenylbarbituric acid
- Molecular weight
- 0
Names & synonyms
73680-96-3BARBITURIC ACID, 5-ALLYL-1-BENZYL-5-PHENYL-RefChem:1077605BRN 03197131-Benzyl-5-allyl-5-phenylbarbituric acid5-Allyl-1-benzyl-5-phenyl barbituric acidDTXSID009945313-Benzyl-6-hydroxy-5-phenyl-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione5-Allyl-1-benzyl-5-phenylbarbituric acid5-Allyl-1-benzyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
73680-96-3- PubChem CID
- 52169
- DTXSID
DTXSID00994531- Nikkaji
- J84.810G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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