Methyl 3-(2-fluorophenyl)-4,6-dioxo-1,5-diphenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
Basic information
- CAS
3938-44-1- Standard SMILES
COC(=O)C1(c2ccccc2)NC(c2ccccc2F)C2C(=O)N(c3ccccc3)C(=O)C21- InChIKey
XMEYRCIGKKYFFV-UHFFFAOYSA-N- Molecular formula
- C26H21FN2O4
- Average molar mass
- 444.5 g/mol
- Monoisotopic mass
- 444.14853532
Names & identifiers
- Preferred name
- Methyl 3-(2-fluorophenyl)-4,6-dioxo-1,5-diphenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
- IUPAC
- methyl 1-(2-fluorophenyl)-4,6-dioxo-3,5-diphenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
Names & synonyms
3938-44-1DTXSID30390446AKOS000771244Methyl 3-(2-fluorophenyl)-4,6-dioxo-1,5-diphenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylateSR-01000348469SR-01000348469-1
Database identifiers
- CAS
3938-44-1- PubChem CID
- 3217528
- DTXSID
DTXSID30390446
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 778
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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