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2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl)-4-fluoro-benzoic Acid, 2-(1,1-dimethylethyloxy)carbonyl Hydrazide

HCID 11619963
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1c(C(F)(F)F)cc(=O)n(-c2cc(C(=O)NNC(=O)OC(C)(C)C)c(Cl)cc2F)c1=O
InChIKey
KYEDHXXLIOWBAM-UHFFFAOYSA-N
Molecular formula
C18H17ClF4N4O5
Average molar mass
480.8 g/mol

Names & identifiers

Preferred name
2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl)-4-fluoro-benzoic Acid, 2-(1,1-dimethylethyloxy)carbonyl Hydrazide
IUPAC
tert-butyl N-[[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoyl]amino]carbamate

Names & synonyms

KYEDHXXLIOWBAM-UHFFFAOYSA-N2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl)-4-fluoro-benzoic Acid, 2-(1,1-dimethylethyloxy)carbonyl Hydrazide

Database identifiers

PubChem CID
11619963

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
108 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
4
Heavy atoms
32
Formal charge
0
Complexity
829

Related reactions

1 records
New reaction record
HRID 1835052 reaction equation
HRID 1835052As productuspto-grants-2004_08

Compound notes

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