Ethyl 2-[5-(naphthalene-2-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]pyrimidine-5-carboxylate
Basic information
- Standard SMILES
CCOC(=O)c1cnc(N2CC3CN(C(=O)c4ccc5ccccc5c4)CC3C2)nc1- InChIKey
HTNPAVKRZNKJET-UHFFFAOYSA-N- Molecular formula
- C24H24N4O3
- Average molar mass
- 416.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-[5-(naphthalene-2-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]pyrimidine-5-carboxylate
- IUPAC
- ethyl 2-[5-(naphthalene-2-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyrimidine-5-carboxylate
Names & synonyms
SCHEMBL1010943HTNPAVKRZNKJET-UHFFFAOYSA-NEthyl 2-[5-(naphthalene-2-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]pyrimidine-5-carboxylate
Database identifiers
- PubChem CID
- 59367685
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 651
Related reactions
1 records
Compound notes
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