Basic information
- CAS
443739-82-0- Standard SMILES
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N(C1CCCCC1)C1CCCCC1- InChIKey
CGGDFMJLDLSOPJ-UHFFFAOYSA-N- Molecular formula
- C28H33ClN4OS
- Average molar mass
- 509.1 g/mol
Names & identifiers
- Preferred name
- 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexylacetamide
- IUPAC
- 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexylacetamide
- English name
- 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dicyclohexylacetamide
- Molecular formula
- C28H33ClN4OS
- Molecular weight
- 509.11
Names & synonyms
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dicyclohexylacetamideAKOS0005802932-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexylacetamideST50259096AG-690/407508922-[5-(4-chlorophenyl)-4-phenyl(1,2,4-triazol-3-ylthio)]-N,N-dicyclohexylacetam ideAcetamide, 2-[[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N,N-dicyclohexyl-
Database identifiers
- CAS
443739-82-0
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 76.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 639
Physicochemical properties
- Boiling point
- 689.3 · 689.3±65.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- -0.17 · -0.17±0.10(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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