Basic information
- CAS
17720-23-9- Standard SMILES
Cc1cc(NC(=O)CCc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)ccc1S(=O)(=O)F- InChIKey
WOKPARJRGNUMDA-UHFFFAOYSA-N- Molecular formula
- C21H25FN6O3S
- Average molar mass
- 460.5 g/mol
- Monoisotopic mass
- 460.16928802
Names & identifiers
- Preferred name
- 4-[[3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]-2-methylbenzenesulfonyl fluoride
- IUPAC
- 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride
Names & synonyms
17720-23-94-[[3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]-2-methylbenzenesulfonyl fluorideVK5ARH9FE4CHEMBL97854DTXSID501106016Benzenesulfonyl fluoride, 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]-2-methyl-o-Toluenesulfonyl fluoride, 4-[p-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)hydrocinnamamido]-p-[p-(4,6-Diamino-1,2-dihydro-2,2-dimethyl-s-triazin-1-yl)hydrocinnamido]-o-toluenesulfonyl fluoride
Database identifiers
- CAS
17720-23-9- PubChem CID
- 64841
- DTXSID
DTXSID501106016- ChEMBL
CHEMBL97854- UNII
- VK5ARH9FE4
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 861
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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