AC1L6R23
3-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: ethanesulfonic acid- 3-({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]acetyl}amino)benzenesulfonyl fluoride(1:1)|3-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl|3-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetyl]amino]benzenesulfonyl Fluoride|3-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid|Ethanesulfonic acid--3-{2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]acetamido}benzene-1-sulfonyl fluoride (1/1)
| Molecular Formula | C21H27FN6O6S2 |
|---|---|
| Molecular Weight | 542.1417 g/mol |
| LogP | 1.6056 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 542.1417 |
| Monoisotopic Mass | 542.1417 |
| Heavy Atoms | 36 |
| Complexity | 920.0 |
Chemical Identifiers
| CAS Number | 19159-35-4 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)N)N)C |
| InChIKey | WMYXOSYXZYRMMA-UHFFFAOYSA-N |
Product Overview
AC1L6R23 (CAS 19159-35-4), with molecular formula C21H27FN6O6S2 and molecular weight 542.1417 g/mol. IUPAC: 3-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid.