Basic information
- CAS
72239-52-2- Standard SMILES
Cc1ccc(C2OCC(CO)(Nc3nc(N4CC4)nc(N4CC4)n3)CO2)cc1C- InChIKey
FDICQUYCQNIVKV-UHFFFAOYSA-N- Molecular formula
- C20H26N6O3
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.20663871
Names & identifiers
- Preferred name
- 1,3-Dioxane-5-methanol, 5-((4,6-bis(1-aziridinyl)-1,3,5-triazin-2-yl)amino)-2-(3,4-dimethylphenyl)-
- IUPAC
- [5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2-(3,4-dimethylphenyl)-1,3-dioxan-5-yl]methanol
Names & synonyms
72239-52-21,3-Dioxane-5-methanol, 5-((4,6-bis(1-aziridinyl)-1,3,5-triazin-2-yl)amino)-2-(3,4-dimethylphenyl)-DTXSID10222574RefChem:218857DTXCID40145065[5-{[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino}-2-(3,4-dimethylphenyl)-1,3-dioxan-5-yl]methanol
Database identifiers
- CAS
72239-52-2- PubChem CID
- 51563
- DTXSID
DTXSID10222574
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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