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
- Formal charge
- 0
- Complexity
- 456
Related reactions
7 records
Compound notes
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