(R)-tert-butyl 1-(4-(2-chloro-5-fluorobenzyl)-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)piperidin-3-ylcarbamate

HCID 58328537

Basic information

Standard SMILES
Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n(Cc2cc(F)ccc2Cl)c1=O
InChIKey
SENBVDFSCGEQJB-MRXNPFEDSA-N
Molecular formula
C21H27ClFN5O3
Average molar mass
451.9 g/mol

Names & identifiers

Preferred name
(R)-tert-butyl 1-(4-(2-chloro-5-fluorobenzyl)-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)piperidin-3-ylcarbamate
IUPAC
tert-butyl N-[(3R)-1-[4-[(2-chloro-5-fluorophenyl)methyl]-6-methyl-5-oxo-1,2,4-triazin-3-yl]piperidin-3-yl]carbamate

Names & synonyms

SCHEMBL2020037SENBVDFSCGEQJB-MRXNPFEDSA-N(R)-tert-butyl 1-(4-(2-chloro-5-fluorobenzyl)-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)piperidin-3-ylcarbamate

Database identifiers

PubChem CID
58328537

Properties

Computed structural properties

XLogP
3
Topological polar surface area
86.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
31

Related reactions

4 records

Compound notes

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