methyl 2-fluoro-5-nitro-4-[2-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-1-yl]benzoate

HCID 68019147
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1cc([N+](=O)[O-])c(-n2ccnc2C2CCOCC2)cc1F
InChIKey
WZODWMNQZDEZFA-UHFFFAOYSA-N
Molecular formula
C16H16FN3O5
Average molar mass
349.31 g/mol
Monoisotopic mass
349.10739878

Names & identifiers

Preferred name
methyl 2-fluoro-5-nitro-4-[2-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-1-yl]benzoate
IUPAC
methyl 2-fluoro-5-nitro-4-[2-(oxan-4-yl)imidazol-1-yl]benzoate

Names & synonyms

SCHEMBL10053885WZODWMNQZDEZFA-UHFFFAOYSA-Nmethyl 2-fluoro-5-nitro-4-[2-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-1-yl]benzoate

Database identifiers

PubChem CID
68019147

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
99.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
25

Related reactions

1 records
New reaction record

Compound notes

Loading…