3-(2-methoxyphenyl)-5-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Basic information
- CAS
5726-73-8- Standard SMILES
COc1ccccc1C1C2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)C2ON1c1ccccc1- InChIKey
GFEQTTSYRQKZLP-UHFFFAOYSA-N- Molecular formula
- C24H19N3O6
- Average molar mass
- 445.4 g/mol
- Monoisotopic mass
- 445.12738533
Names & identifiers
- Preferred name
- 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
- IUPAC
- 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
- English name
- 6-(2-methoxyphenyl)-3-(4-nitrophenyl)-7-phenyl-8-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
- Molecular formula
- C22H38N6O
- Molecular weight
- 402.58
Names & synonyms
5726-73-83-(2-methoxyphenyl)-5-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dioneDTXSID70396129STK557645AKOS0054837883-(2-methoxyphenyl)-5-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dionePyrimido[4,5-d]pyrimidin-4(3H)-one, 2,7-bis(dibutylamino)-6-(2-methoxyphenyl)-3-(4-nitrophenyl)-7-phenyl-8-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
Database identifiers
- CAS
5726-73-8- PubChem CID
- 3766697
- DTXSID
DTXSID70396129
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 758
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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