AC1L6R1Z
3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: ethanesulfonic acid- 3-{[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzoyl]amino}benzenesulfonyl fluoride(1:1)|3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoyl]amino]benzenesulfonyl Fluoride|3-(4,6-Diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)-N-[3-(fluorosulfonyl)phenyl]benzene-1-carboximidic acid--ethanesulfonic acid (1/1)|3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid
| Molecular Formula | C20H25FN6O6S2 |
|---|---|
| Molecular Weight | 528.1261 g/mol |
| LogP | 1.6767 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 528.1261 |
| Monoisotopic Mass | 528.1261 |
| Heavy Atoms | 35 |
| Complexity | 912.0 |
Chemical Identifiers
| CAS Number | 19159-34-3 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)F)N)N)C |
| InChIKey | CDMFDSJPFNKKAH-UHFFFAOYSA-N |
Product Overview
AC1L6R1Z (CAS 19159-34-3), with molecular formula C20H25FN6O6S2 and molecular weight 528.1261 g/mol. IUPAC: 3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid.