2-[[5-(4-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-cyclohexylphenyl)ethanone
Basic information
- CAS
5676-90-4- Standard SMILES
CCn1c(SCC(=O)c2ccc(C3CCCCC3)cc2)nnc1-c1ccc(Cl)cc1- InChIKey
QEFCAFAIVCUTAX-UHFFFAOYSA-N- Molecular formula
- C24H26ClN3OS
- Average molar mass
- 440 g/mol
- Monoisotopic mass
- 439.1485113
Names & identifiers
- Preferred name
- 2-[[5-(4-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-cyclohexylphenyl)ethanone
- IUPAC
- 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-cyclohexylphenyl)ethanone
Names & synonyms
5676-90-42-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-cyclohexylphenyl)ethanoneDTXSID904107952-{[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-cyclohexylphenyl)ethan-1-one
Database identifiers
- CAS
5676-90-4- PubChem CID
- 5218092
- DTXSID
DTXSID90410795
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 543
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Compound notes
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