Basic information
- CAS
31607-10-0- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2cc(Cl)ccc2S(=O)(=O)F)c(Cl)c1.CCS(=O)(=O)O- InChIKey
YMOFRBPRLUQGEV-UHFFFAOYSA-N- Molecular formula
- C23H30Cl2FN5O5S2
- Average molar mass
- 610.6 g/mol
- Monoisotopic mass
- 609.104945
Names & identifiers
- Preferred name
- 4-Chloro-2-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid
- IUPAC
- 4-chloro-2-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid
Names & synonyms
31607-10-0NSC1322804-chloro-2-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acidDTXSID20299712NSC-132280Ethanesulfonic acid--4-chloro-2-{4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl}benzene-1-sulfonyl fluoride (1/1)
Database identifiers
- CAS
31607-10-0- PubChem CID
- 280528
- DTXSID
DTXSID20299712
Properties
Computed structural properties
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 938
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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