2-Propanol, 1-((3,4-dichlorophenyl)amino)-3-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)-
Basic information
- CAS
159584-82-4- Standard SMILES
OC(CNc1ccc(Cl)c(Cl)c1)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1- InChIKey
UJCXMOAKAGBJDJ-UHFFFAOYSA-N- Molecular formula
- C24H20Cl2N4OS
- Average molar mass
- 483.4 g/mol
- Monoisotopic mass
- 482.0734878
Names & identifiers
- Preferred name
- 2-Propanol, 1-((3,4-dichlorophenyl)amino)-3-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)-
- IUPAC
- 1-(3,4-dichloroanilino)-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propan-2-ol
Names & synonyms
1-((3,4-Dichlorophenyl)amino)-3-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)-2-propanol159584-82-42-Propanol, 1-((3,4-dichlorophenyl)amino)-3-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)-RefChem:265626DTXSID909361271-(3,4-dichloroanilino)-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propan-2-ol
Database identifiers
- CAS
159584-82-4- PubChem CID
- 3074574
- DTXSID
DTXSID90936127- Nikkaji
- J587.317G
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 550
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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