isopropyl 3-(5-amino-2-chloro-4-fluorophenyl)tetrahydro-5-methyl-2,4,6-trioxo-s-triazine-1(2H)-acetate

HCID 57313385
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Basic information

Standard SMILES
CC(C)OC(=O)Cn1c(=O)n(C)c(=O)n(-c2cc(N)c(F)cc2Cl)c1=O
InChIKey
LGZFLFKMOHXEHD-UHFFFAOYSA-N
Molecular formula
C15H16ClFN4O5
Average molar mass
386.76 g/mol

Names & identifiers

Preferred name
isopropyl 3-(5-amino-2-chloro-4-fluorophenyl)tetrahydro-5-methyl-2,4,6-trioxo-s-triazine-1(2H)-acetate
IUPAC
propan-2-yl 2-[3-(5-amino-2-chloro-4-fluorophenyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate

Names & synonyms

SCHEMBL8472904LGZFLFKMOHXEHD-UHFFFAOYSA-Nisopropyl 3-(5-amino-2-chloro-4-fluorophenyl)tetrahydro-5-methyl-2,4,6-trioxo-s-triazine-1(2H)-acetate

Database identifiers

PubChem CID
57313385

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
113 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
26

Related reactions

21 records
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Linked notes

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