Basic information
- Standard SMILES
CCOC(=O)N1CCN(c2ccc(-n3cnn(C(CC)C(=O)c4ccc(Cl)cc4)c3=O)cn2)CC1- InChIKey
JJFSDSKMFRBALW-UHFFFAOYSA-N- Molecular formula
- C24H27ClN6O4
- Average molar mass
- 499 g/mol
Names & identifiers
- Preferred name
- (+/-)-ethyl 4-[5-[2-[1-(4-chlorobenzoyl)propyl]-2,3-dihydro-3-oxo-4H-1,2,4-triazol-4-yl]-2-pyridinyl]-1-piperazinecarboxylate
- IUPAC
- ethyl 4-[5-[1-[1-(4-chlorophenyl)-1-oxobutan-2-yl]-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]piperazine-1-carboxylate
Names & synonyms
JJFSDSKMFRBALW-UHFFFAOYSA-N(+/-)-ethyl 4-[5-[2-[1-(4-chlorobenzoyl)propyl]-2,3-dihydro-3-oxo-4H-1,2,4-triazol-4-yl]-2-pyridinyl]-1-piperazinecarboxylate
Database identifiers
- PubChem CID
- 53958409
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 797
Related reactions
4 records
Compound notes
Loading…