Basic information
- CAS
37431-46-2- Standard SMILES
CCC(=O)OC1(Cc2ccccc2)C(=O)NC(=O)NC1=O- InChIKey
VASKAMSZFUWCJZ-UHFFFAOYSA-N- Molecular formula
- C14H14N2O5
- Average molar mass
- 290.27 g/mol
- Monoisotopic mass
- 290.09027155
Names & identifiers
- Preferred name
- Barbituric acid, 5-benzyl-5-propionyloxy-
- IUPAC
- (5-benzyl-2,4,6-trioxo-1,3-diazinan-5-yl) propanoate
Names & synonyms
BARBITURIC ACID, 5-BENZYL-5-PROPIONYLOXY-37431-46-2BRN 07599155-Propionoxy-5-benzylbarbituric acid5-benzyl-2,4,6-trioxo-1,3-diazinan-5-yl propanoateDTXSID10190880
Database identifiers
- CAS
37431-46-2- PubChem CID
- 37733
- DTXSID
DTXSID10190880- Nikkaji
- J93.485B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…