AC1L648L
3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-N-methyl-N-phenylbenzamide;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}-n-methyl-n-phenylbenzamide(1:1)|3-[[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-n-methyl-n-phenyl-benzamide|3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-N-methyl-N-phenylbenzamide; ethanesulfonic acid|3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-N-methyl-N-phenylbenzamide;ethanesulfonic acid|Ethanesulfonic acid--3-{[2-chloro-4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenoxy]methyl}-N-methyl-N-phenylbenzamide (1/1)
| Molecular Formula | C28H33ClN6O5S |
|---|---|
| Molecular Weight | 600.19214 g/mol |
| LogP | 4.2752 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 600.19214 |
| Monoisotopic Mass | 600.19214 |
| Heavy Atoms | 41 |
| Complexity | 917.0 |
Chemical Identifiers
| CAS Number | 50876-33-0 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC(=CC=C3)C(=O)N(C)C4=CC=CC=C4)Cl)N)N)C |
| InChIKey | KQNQOKKJMNMEIM-UHFFFAOYSA-N |
Product Overview
AC1L648L (CAS 50876-33-0), with molecular formula C28H33ClN6O5S and molecular weight 600.19214 g/mol. IUPAC: 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-N-methyl-N-phenylbenzamide;ethanesulfonic acid.