3-(2,5-Dichlorophenyl)-4-(4-methoxyphenyl)-5-[4-(octyloxy)phenyl]-4H-1,2,4-triazole

HCID 21982104
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCOc1ccc(-c2nnc(-c3cc(Cl)ccc3Cl)n2-c2ccc(OC)cc2)cc1
InChIKey
WYDSQIAKNYQRFY-UHFFFAOYSA-N
Molecular formula
C29H31Cl2N3O2
Average molar mass
524.5 g/mol

Names & identifiers

Preferred name
3-(2,5-Dichlorophenyl)-4-(4-methoxyphenyl)-5-[4-(octyloxy)phenyl]-4H-1,2,4-triazole
IUPAC
3-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-5-(4-octoxyphenyl)-1,2,4-triazole

Names & synonyms

SCHEMBL4827623WYDSQIAKNYQRFY-UHFFFAOYSA-N3-(2,5-Dichlorophenyl)-4-(4-methoxyphenyl)-5-[4-(octyloxy)phenyl]-4H-1,2,4-triazole

Database identifiers

PubChem CID
21982104

Properties

Computed structural properties

XLogP
9
Topological polar surface area
49.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
12
Heavy atoms
36

Related reactions

3 records
New reaction record

Linked notes

Loading…