N-[3-(2-chloro-6 fluorobenzyloxy)pyrid-2-yl]-N'-(4-nitrophenyl)thiourea

HCID 20077035
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Basic information

Standard SMILES
O=[N+]([O-])c1ccc(NC(=S)Nc2ncccc2OCc2c(F)cccc2Cl)cc1
InChIKey
FJFMCCKPFBWVFV-UHFFFAOYSA-N
Molecular formula
C19H14ClFN4O3S
Average molar mass
432.9 g/mol
Monoisotopic mass
432.0459174

Names & identifiers

Preferred name
N-[3-(2-chloro-6 fluorobenzyloxy)pyrid-2-yl]-N'-(4-nitrophenyl)thiourea
IUPAC
1-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-3-(4-nitrophenyl)thiourea

Names & synonyms

SCHEMBL9124509FJFMCCKPFBWVFV-UHFFFAOYSA-NN-[3-(2-chloro-6 fluorobenzyloxy)pyrid-2-yl]-N'-(4-nitrophenyl)thiourea

Database identifiers

PubChem CID
20077035

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
124 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
29

Related reactions

3 records
New reaction record

Compound notes

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