Basic information
- CAS
312289-60-4- Standard SMILES
CC1CCN(Cn2nc(COc3ccc(C4CCCCC4)cc3)n(-c3ccccc3)c2=S)CC1- InChIKey
YFUAXWWGCSAOAQ-UHFFFAOYSA-N- Molecular formula
- C28H36N4OS
- Average molar mass
- 476.7 g/mol
- Monoisotopic mass
- 476.26098296
Names & identifiers
- Preferred name
- 5-[(4-cyclohexylphenoxy)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
- IUPAC
- 5-[(4-cyclohexylphenoxy)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione
Names & synonyms
312289-60-45-[(4-cyclohexylphenoxy)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione5-[(4-Cyclohexylphenoxy)methyl]-2,4-dihydro-2-[(4-methyl-1-piperidinyl)methyl]-4-phenyl-3H-1,2,4-triazole-3-thione5-[(4-cyclohexylphenoxy)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thioneOprea1_687547DTXSID201107110STK664414AKOS001734778ST50432533AG-205/117710435-[(4-cyclohexylphenoxy)methyl]-2-[(4-methyl-1-piperidinyl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
312289-60-4- PubChem CID
- 3983299
- DTXSID
DTXSID201107110
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 687
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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