Basic information
- CAS
87540-58-7- Standard SMILES
COc1ccc(-c2nnc3c4ccccc4c(OCCCCO)nn23)cc1- InChIKey
KSSFHCNIFAXDCU-UHFFFAOYSA-N- Molecular formula
- C20H20N4O3
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.15354051
Names & identifiers
- Preferred name
- 1-Butanol, 4-((3-(4-methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)-
- IUPAC
- 4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxy]butan-1-ol
Names & synonyms
1-BUTANOL, 4-((3-(4-METHOXYPHENYL)-1,2,4-TRIAZOLO(3,4-a)PHTHALAZIN-6-YL)OXY)-4-((3-(4-Methoxyphenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-yl)oxy)butanol87540-58-7DTXSID90236432RefChem:228808DTXCID90158923SCHEMBL106676874-{[3-(4-methoxyphenyl)[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxy}butan-1-ol
Database identifiers
- CAS
87540-58-7- PubChem CID
- 55730
- DTXSID
DTXSID90236432
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…