Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2nc3cc(-c4ccc(Cl)cc4Cl)[nH]c(=O)n3n2)CC1- InChIKey
WUVODADBNIFOGW-UHFFFAOYSA-N- Molecular formula
- C21H23Cl2N5O3
- Average molar mass
- 464.3 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-[7-(2,4-dichlorophenyl)-5-oxo-5,6-dihydro [1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[7-(2,4-dichlorophenyl)-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL1958208WUVODADBNIFOGW-UHFFFAOYSA-Ntert-Butyl 4-[7-(2,4-dichlorophenyl)-5-oxo-5,6-dihydro [1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-piperidine-1-carboxylatetert-Butyl 4-[7-(2,4-dichlorophenyl)-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 136104185
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 735
Related reactions
2 records
Compound notes
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