Basic information
- Standard SMILES
C=CCOC(C(Cc1ccc(Cl)cc1)n1cncn1)C1(C)COCOC1- InChIKey
ZBRFPGIXYSYBHY-UHFFFAOYSA-N- Molecular formula
- C19H24ClN3O3
- Average molar mass
- 377.9 g/mol
Names & identifiers
- Preferred name
- 1-(5-Methyl-1,3-dioxan-5-yl)-1-allyloxy-2-(1,2,4-triazol-1-yl)-3-(4-chlorophenyl)-propane
- IUPAC
- 1-[3-(4-chlorophenyl)-1-(5-methyl-1,3-dioxan-5-yl)-1-prop-2-enoxypropan-2-yl]-1,2,4-triazole
Names & synonyms
SCHEMBL11187807ZBRFPGIXYSYBHY-UHFFFAOYSA-N1-(5-methyl-1,3-dioxan-5-yl)-1-allyloxy-2-(1,2,4-triazol-1-yl)-3-(4-chlorophenyl)-propane
Database identifiers
- PubChem CID
- 12855656
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 440
Related reactions
1 records
Compound notes
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