Phenol, 3-((3-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)-2-hydroxypropyl)amino)-
Basic information
- CAS
159584-87-9- Standard SMILES
Oc1cccc(NCC(O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1- InChIKey
YJOASIJNKKKTLI-UHFFFAOYSA-N- Molecular formula
- C24H22N4O2S
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.14634713
Names & identifiers
- Preferred name
- Phenol, 3-((3-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)-2-hydroxypropyl)amino)-
- IUPAC
- 3-[[3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-2-hydroxypropyl]amino]phenol
Names & synonyms
3-((3-((5,6-Diphenyl-1,2,4-triazin-3-yl)thio)-2-hydroxypropyl)amino)phenol159584-87-9Phenol, 3-((3-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)-2-hydroxypropyl)amino)-RefChem:369093DTXSID509361283-({3-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-2-hydroxypropyl}amino)phenol
Database identifiers
- CAS
159584-87-9- PubChem CID
- 3074575
- DTXSID
DTXSID50936128- Nikkaji
- J587.324J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…