AC1L5YZ3
2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N-methyl-N-phenylacetamide;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]-n-methyl-n-phenylacetamide(1:1)|2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N-methyl-N-phenyl-acetamide|2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N-methyl-N-phenylacetamide; ethanesulfonic acid|2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N-methyl-N-phenylacetamide;ethanesulfonic acid|Ethanesulfonic acid--2-[2-chloro-4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenoxy]-N-methyl-N-phenylacetamide (1/1)
| Molecular Formula | C22H29ClN6O5S |
|---|---|
| Molecular Weight | 524.1609 g/mol |
| LogP | 2.4614 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.1609 |
| Monoisotopic Mass | 524.1609 |
| Heavy Atoms | 35 |
| Complexity | 767.0 |
Chemical Identifiers
| CAS Number | 508-52-1 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)N(C)C3=CC=CC=C3)Cl)N)N)C |
| InChIKey | XGTCJJJYOOLAHN-UHFFFAOYSA-N |
Product Overview
AC1L5YZ3 (CAS 508-52-1), with molecular formula C22H29ClN6O5S and molecular weight 524.1609 g/mol. IUPAC: 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N-methyl-N-phenylacetamide;ethanesulfonic acid.