AC1L63LL
2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-piperidin-1-ylethanone;ethanesulfonic acid
Also Known As: ethanesulfonic acid- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-1-(piperidin-1-yl)ethanone(1:1)|2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-(1-piperidyl)ethanone|2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-piperidin-1-ylethanone; ethanesulfonic acid|2-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-piperidin-1-ylethanone;ethanesulfonic acid|Ethanesulfonic acid--2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]-1-(piperidin-1-yl)ethan-1-one (1/1)
| Molecular Formula | C20H31ClN6O5S |
|---|---|
| Molecular Weight | 502.1765 g/mol |
| LogP | 1.8109 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 502.1765 |
| Monoisotopic Mass | 502.1765 |
| Heavy Atoms | 33 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 508-59-8 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)N3CCCCC3)Cl)N)N)C |
| InChIKey | XVUKHBLMOCGFMO-UHFFFAOYSA-N |
Product Overview
AC1L63LL (CAS 508-59-8), with molecular formula C20H31ClN6O5S and molecular weight 502.1765 g/mol. IUPAC: 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-piperidin-1-ylethanone;ethanesulfonic acid.