Basic information
- Standard SMILES
CN(C)C(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4cccnc4c3)cc2)C1- InChIKey
STIHDPMKZLTJSU-UHFFFAOYSA-N- Molecular formula
- C25H26N6O2
- Average molar mass
- 442.5 g/mol
Names & identifiers
- Preferred name
- N,N-dimethyl-3-[[5-oxo-4-(4-quinolin-7-ylphenyl)-1H-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-carboxamide
- IUPAC
- N,N-dimethyl-3-[[5-oxo-4-(4-quinolin-7-ylphenyl)-1H-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-carboxamide
Database identifiers
- PubChem CID
- 77275367
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 762
Related reactions
1 records
Compound notes
Loading…