AC1Q6X6N
[3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone;ethanesulfonic acid
Also Known As: ethanesulfonic acid-(3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}phenyl)(piperidin-1-yl)methanone(1:1)|[3-[[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-(1-piperidyl)methanone|[3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-morpholin-4-ylmethanone|[3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone,ethanesulfonic acid|[3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone; ethanesulfonic acid|[3-[[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone;ethanesulfonic acid|Ethanesulfonic acid--(3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]methyl}phenyl)(piperidin-1-yl)methanone (1/1)
| Molecular Formula | C26H35ClN6O5S |
|---|---|
| Molecular Weight | 578.2078 g/mol |
| LogP | 3.6247 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 578.2078 |
| Monoisotopic Mass | 578.2078 |
| Heavy Atoms | 39 |
| Complexity | 871.0 |
Chemical Identifiers
| CAS Number | 50877-01-5 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC(=CC=C3)C(=O)N4CCCCC4)Cl)N)N)C |
| InChIKey | FTCCDDNZFFHASS-UHFFFAOYSA-N |
Product Overview
AC1Q6X6N (CAS 50877-01-5), with molecular formula C26H35ClN6O5S and molecular weight 578.2078 g/mol. IUPAC: [3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone;ethanesulfonic acid.