Basic information
- CAS
33837-47-7- Standard SMILES
CCCN1C(=O)C(c2ccccc2C(=O)O)C(=O)N(c2ccccc2)C1=O- InChIKey
TTXNWRRFUFPMLH-UHFFFAOYSA-N- Molecular formula
- C20H18N2O5
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.12157168
Names & identifiers
- Preferred name
- Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoate
- IUPAC
- 2-(2,4,6-trioxo-1-phenyl-3-propyl-1,3-diazinan-5-yl)benzoic acid
Names & synonyms
33837-47-7Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoateRefChem:1077588BRN 07152225-(2-Hydroxypropyl)-5-phenylbarbituric acid 5-benzoate2-(2,4,6-trioxo-1-phenyl-3-propyl-1,3-diazinan-5-yl)benzoic acidDTXSID40955424
Database identifiers
- CAS
33837-47-7- PubChem CID
- 214701
- DTXSID
DTXSID40955424
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 613
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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