5-Ethyl-5-phenoxy-1,3-diazinane-2,4,6-trione
Basic information
- CAS
57353-53-4- Standard SMILES
CCC1(Oc2ccccc2)C(=O)NC(=O)NC1=O- InChIKey
ILYXBEBFVPWKOM-UHFFFAOYSA-N- Molecular formula
- C12H12N2O4
- Average molar mass
- 248.23 g/mol
- Monoisotopic mass
- 248.07970687
Names & identifiers
- Preferred name
- 5-Ethyl-5-phenoxy-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-ethyl-5-phenoxy-1,3-diazinane-2,4,6-trione
Names & synonyms
MLS00266715857353-53-45-ethyl-5-phenoxy-1,3-diazinane-2,4,6-trioneNSC48063CHEMBL3188127DTXSID40286861HMS3089G13NSC-48063SMR001556930
Database identifiers
- CAS
57353-53-4- PubChem CID
- 241012
- DTXSID
DTXSID40286861- ChEMBL
CHEMBL3188127
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 354
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Compound notes
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