1-(2,4,6-Trioxo-5-phenyl-1,3-diazinan-5-yl)propan-2-yl 4-nitrobenzoate
Basic information
- CAS
33837-46-6- Standard SMILES
CC(CC1(c2ccccc2)C(=O)NC(=O)NC1=O)OC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
POLJISBQSIEHPT-UHFFFAOYSA-N- Molecular formula
- C20H17N3O7
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.10664989
Names & identifiers
- Preferred name
- 1-(2,4,6-Trioxo-5-phenyl-1,3-diazinan-5-yl)propan-2-yl 4-nitrobenzoate
- IUPAC
- 1-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)propan-2-yl 4-nitrobenzoate
Names & synonyms
33837-46-6NSC2894701-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)propan-2-yl 4-nitrobenzoateDTXSID50314861NSC-289470
Database identifiers
- CAS
33837-46-6- PubChem CID
- 324327
- DTXSID
DTXSID50314861
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 698
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Compound notes
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