1-(4-Ethylphenyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
Basic information
- CAS
5650-82-8- Standard SMILES
CCc1ccc(C(=O)C(C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1- InChIKey
COSOENQCVAPVDK-UHFFFAOYSA-N- Molecular formula
- C25H24N4OS
- Average molar mass
- 428.6 g/mol
- Monoisotopic mass
- 428.16708258
Names & identifiers
- Preferred name
- 1-(4-Ethylphenyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
- IUPAC
- 1-(4-ethylphenyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
Names & synonyms
5650-82-81-(4-ethylphenyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-oneDTXSID304111051-(4-Ethylphenyl)-2-{[4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propan-1-one
Database identifiers
- CAS
5650-82-8- PubChem CID
- 5221885
- DTXSID
DTXSID30411105
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 582
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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