1,3-Bis(2-chloroethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Basic information
- CAS
57563-05-0- Standard SMILES
CCC1(c2ccccc2)C(=O)N(CCCl)C(=O)N(CCCl)C1=O- InChIKey
FLCONVLXKMBYMS-UHFFFAOYSA-N- Molecular formula
- C16H18Cl2N2O3
- Average molar mass
- 357.2 g/mol
- Monoisotopic mass
- 356.0694478
Names & identifiers
- Preferred name
- 1,3-Bis(2-chloroethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
- IUPAC
- 1,3-bis(2-chloroethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Names & synonyms
57563-05-0NSC2788821,3-bis(2-chloroethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trioneDTXSID20313942NSC-278882
Database identifiers
- CAS
57563-05-0- PubChem CID
- 322267
- DTXSID
DTXSID20313942
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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