Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
N-tert-butyl-N-[1-[2-(6-chloro-3-oxo-1,2,4-benzotriazin-4-yl)ethyl]piperidin-4-yl]carbamate (HCID 178449668)|Huagongshe
Home
/
Compound
N-tert-butyl-N-[1-[2-(6-chloro-3-oxo-1,2,4-benzotriazin-4-yl)ethyl]piperidin-4-yl]carbamate
HCID
178449668
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CC(C)(C)N(C(=O)[O-])C1CCN(CCn2c(=O)nnc3ccc(Cl)cc32)CC1
InChIKey
ASBOQPHYKKKTJY-UHFFFAOYSA-M
Molecular formula
C19H25ClN5O3-
Average molar mass
406.9 g/mol
Monoisotopic mass
406.1645924
Names & identifiers
IUPAC
N-tert-butyl-N-[1-[2-(6-chloro-3-oxo-1,2,4-benzotriazin-4-yl)ethyl]piperidin-4-yl]carbamate
Database identifiers
PubChem CID
86652561
Properties
Computed structural properties
XLogP
1.7
Topological polar surface area
91.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Formal charge
-1
Complexity
610
Show all 8
Show all 8 / 8
Related reactions
1 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
831556
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
Loading…