Basic information
- CAS
88820-13-7- Standard SMILES
O=C(NCC1([N+](=O)[O-])CN(C(=O)c2ccccc2)CN(C(=O)c2ccccc2)C1)c1ccccc1- InChIKey
XIYZCPNYDNYQDE-UHFFFAOYSA-N- Molecular formula
- C26H24N4O5
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.17466988
Names & identifiers
- Preferred name
- Benzamide, N-[(1,3-dibenzoylhexahydro-5-nitro-5-pyrimidinyl)methyl]-
- IUPAC
- N-[(1,3-dibenzoyl-5-nitro-1,3-diazinan-5-yl)methyl]benzamide
Names & synonyms
88820-13-7N-((1,3-Dibenzoyl-5-nitrohexahydropyrimidin-5-yl)methyl)benzamideBenzamide, N-[(1,3-dibenzoylhexahydro-5-nitro-5-pyrimidinyl)methyl]-N-[(1,3-dibenzoyl-5-nitro-1,3-diazinan-5-yl)methyl]benzamideOprea1_652679MLS000718825CHEMBL1714448DTXSID80389224HMS2741O14STL298110AKOS000506603SMR000291093
Show more names
ST50223759SR-01000509329SR-01000509329-1N-{[5-nitro-1,3-bis(phenylcarbonyl)hexahydropyrimidin-5-yl]methyl}benzamideN-{[1,3-bis(phenylcarbonyl)-5-nitro(1,3-diazaperhydroin-5-yl)]methyl}benzamide
Database identifiers
- CAS
88820-13-7- PubChem CID
- 3100752
- DTXSID
DTXSID80389224- ChEMBL
CHEMBL1714448
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 741
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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