AC1L63LR
2-[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-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-1-(piperidin-1-yl)ethanone(1:1)|2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-(1-piperidyl)ethanone|2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-piperidin-1-ylethanone,ethanesulfonic acid|2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-piperidin-1-ylethanone; ethanesulfonic acid|2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-piperidin-1-ylethanone;ethanesulfonic acid|Ethanesulfonic acid--2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]-1-(piperidin-1-yl)ethan-1-one (1/1)|ethanesulfonic acid-2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]-1-(piperidin-1-yl)ethanone(1:1)
| Molecular Formula | C20H32N6O5S |
|---|---|
| Molecular Weight | 468.21548 g/mol |
| LogP | 1.1575 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.21548 |
| Monoisotopic Mass | 468.21548 |
| Heavy Atoms | 32 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 50865-08-2 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)OCC(=O)N3CCCCC3)N)N)C |
| InChIKey | XCPBXNPWRLPHAY-UHFFFAOYSA-N |
Product Overview
AC1L63LR (CAS 50865-08-2), with molecular formula C20H32N6O5S and molecular weight 468.21548 g/mol. IUPAC: 2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-piperidin-1-ylethanone;ethanesulfonic acid.