6-Fluoro-1-(3-fluorobenzyl)-2-oxo-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1,2-dihydro-[1,8]-naphthyridine-3-carboxylic acid ethyl ester (HCID 59699597)

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2cc(F)cnc2n(Cc2cccc(F)c2)c1=O
InChIKey: WLZNMEBBDXGNFQ-UHFFFAOYSA-N
Molecular formula: C27H24F2N4O4S
Average molar mass: 538.6 g/mol

Names & identifiers

Preferred name: 6-Fluoro-1-(3-fluorobenzyl)-2-oxo-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1,2-dihydro-[1,8]-naphthyridine-3-carboxylic acid ethyl ester
IUPAC: ethyl 6-fluoro-1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylate

Names & synonyms

SCHEMBL4855096WLZNMEBBDXGNFQ-UHFFFAOYSA-N6-Fluoro-1-(3-fluorobenzyl)-2-oxo-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1,2-dihydro-[1,8]-naphthyridine-3-carboxylic acid ethyl ester

Database identifiers

PubChem CID: 59699597

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 111 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 7
Heavy atoms: 38
Formal charge: 0
Complexity: 944

Related reactions

2 records

New reaction record

HRID 901262As productuspto-grants-2008_04

HRID 1118018As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

Loading…