Basic information
- CAS
13900-05-5- Standard SMILES
CCC1(c2ccccc2)C(=O)NC(=O)NC1=O.Cc1cc(=O)n(-c2ccccc2)n1C- InChIKey
JQQIQZVQNHKNJI-UHFFFAOYSA-N- Molecular formula
- C23H24N4O4
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.17975526
Names & identifiers
- Preferred name
- Einecs 237-670-0
- IUPAC
- 1,5-dimethyl-2-phenylpyrazol-3-one;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Names & synonyms
13900-05-5EINECS 237-670-0DTXSID501608605-Ethyl-5-phenylbarbituric acid, compound with 1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-oneNS000860231,5-Dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one--5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione (1/1)
Database identifiers
- CAS
13900-05-5- PubChem CID
- 83803
- DTXSID
DTXSID50160860- EC Number
- 237-670-0
Properties
Computed structural properties
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 605
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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