Basic information
- Standard SMILES
O=C(O)c1nn2c(c1OCc1ccccc1)C(=O)N(Cc1ccc(F)cc1)CC2c1ccccc1- InChIKey
HWPJNTOHYJQUQP-UHFFFAOYSA-N- Molecular formula
- C27H22FN3O4
- Average molar mass
- 471.5 g/mol
Names & identifiers
- Preferred name
- 3-Benzyloxy-5-(4-fluorobenzyl)-4-oxo-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
- IUPAC
- 5-[(4-fluorophenyl)methyl]-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
Names & synonyms
SCHEMBL4049868HWPJNTOHYJQUQP-UHFFFAOYSA-N3-Benzyloxy-5-(4-fluorobenzyl)-4-oxo-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
Database identifiers
- PubChem CID
- 68893000
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 734
Related reactions
1 records
Compound notes
Loading…