Basic information
- Standard SMILES
O=S(=O)(CSCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl)N1CCCCC1- InChIKey
RZSNGMYGUXCTPQ-UHFFFAOYSA-N- Molecular formula
- C17H22Cl2N4O3S2
- Average molar mass
- 465.4 g/mol
Names & identifiers
- Preferred name
- 2-(2,4-dichlorophenyl)-3-(piperidinosulphonylmethylthio)-1-(1H-1,2,4-triazol-1-yl)-propan-2-ol
- IUPAC
- 2-(2,4-dichlorophenyl)-1-(piperidin-1-ylsulfonylmethylsulfanyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Names & synonyms
SCHEMBL10852271RZSNGMYGUXCTPQ-UHFFFAOYSA-N2-(2,4-dichlorophenyl)-3-(piperidinosulphonylmethylthio)-1-(1H-1,2,4-triazol-1-yl)-propan-2-ol
Database identifiers
- PubChem CID
- 23323766
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 604
Related reactions
2 records
Compound notes
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