Basic information
- CAS
67026-16-8- Standard SMILES
COc1ccc(C2OCC(CO)(Nc3nc(N4CC4)nc(N4CC4)n3)CO2)cc1OC- InChIKey
POBJFOWZTSZNQJ-UHFFFAOYSA-N- Molecular formula
- C20H26N6O5
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.19646795
Names & identifiers
- Preferred name
- (5-((4,6-Bis(aziridin-1-yl)-1,3,5-triazin-2-yl)amino)-2-(3,4-dimethoxyphenyl)-1,3-dioxan-5-yl)methanol
- IUPAC
- [5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2-(3,4-dimethoxyphenyl)-1,3-dioxan-5-yl]methanol
- English name
- 5-[[4,6-Di(1-aziridinyl)-1,3,5-triazin-2-yl]amino]-2-(3,4-dimethoxyphenyl)-1,3-dioxane-5-methanol
- Molecular weight
- 0
Names & synonyms
67026-16-8DTXSID10985879(5-((4,6-Bis(aziridin-1-yl)-1,3,5-triazin-2-yl)amino)-2-(3,4-dimethoxyphenyl)-1,3-dioxan-5-yl)methanol[5-{[4,6-Bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino}-2-(3,4-dimethoxyphenyl)-1,3-dioxan-5-yl]methanolRefChem:1050546DTXCID3014130692-(3,4-Dimethoxyphenyl)-5-(4,6-diaziridinyl-2-s-triazinylamino)-m-dioxane-5-methanol73987-08-3m-Dioxane-5-methanol, 2-(3,4-dimethoxyphenyl)-5-(4,6-diaziridinyl-2-s-triazinylamino)-67026-20-4m-Dioxane-5-axial-methanol, 5-equatorial-((4,6-bis(1-aziridinyl)-s-triazin-2-yl)amino)-2-equatorial-(3,4-dimethoxyphenyl)-m-Dioxane-5-equatorial-methanol, 5-axial-((4,6-bis(1-aziridinyl)-s-triazin-2-yl)amino)-2-equatorial-(3,4-dimethoxyphenyl)-
Show more names
5-[[4,6-Di(1-aziridinyl)-1,3,5-triazin-2-yl]amino]-2-(3,4-dimethoxyphenyl)-1,3-dioxane-5-methanol
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 581
Experimental & physicochemical properties
LogP0.89
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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