3-[4-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
Basic information
- CAS
19160-26-0- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1.CCS(=O)(=O)O- InChIKey
OWCKGINBKQWZCM-UHFFFAOYSA-N- Molecular formula
- C23H31FN6O6S2
- Average molar mass
- 570.7 g/mol
- Monoisotopic mass
- 570.17305324
Names & identifiers
- Preferred name
- 3-[4-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
- IUPAC
- 3-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
Names & synonyms
19160-26-0NSC118212DTXSID70297804NSC-118212Ethanesulfonic acid--3-{4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butanamido}benzene-1-sulfonyl fluoride (1/1)
Database identifiers
- CAS
19160-26-0- PubChem CID
- 273203
- DTXSID
DTXSID70297804
Properties
Computed structural properties
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 951
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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