4-(3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl)-3-hydroxymethyl-5-methyl[1,2,4]triazole

HCID 19085173

Basic information

Standard SMILES
CCc1cc(C(=O)c2ccccc2Cl)c(-n2c(C)nnc2CO)s1
InChIKey
VWNUCFNZAFGPCK-UHFFFAOYSA-N
Molecular formula
C17H16ClN3O2S
Average molar mass
361.8 g/mol

Names & identifiers

Preferred name
4-(3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl)-3-hydroxymethyl-5-methyl[1,2,4]triazole
IUPAC
(2-chlorophenyl)-[5-ethyl-2-[3-(hydroxymethyl)-5-methyl-1,2,4-triazol-4-yl]thiophen-3-yl]methanone

Names & synonyms

SCHEMBL8691715VWNUCFNZAFGPCK-UHFFFAOYSA-N3-hydroxymethyl-4-(3 -o-chlorobenzoyl-5-ethyl-2-thienyl)-5-methyl-4H-1,2,4-triazole3-hydroxymethyl-4-(3-o-chlorobenzoyl-5-ethyl-2-thienyl)-5-methyl-4H-1,2,4-triazole4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)-3-hydroxymethyl-5-methyl[1,2,4]triazole

Database identifiers

PubChem CID
19085173

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
96.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
24

Related reactions

7 records

Compound notes

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