AC1L489T

2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol;2-[(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone

Also Known As: 2-((2R,6R)-6-((2S)-2-hydroxy-2-phenylethyl)-1-methyl-2-piperidyl)-1-phenylethanone|2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1|3,3-Bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-2,1lambda~6~-benzoxathiole-1,1(3H)-dione--2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethan-1-one (1/1)|3,3-Bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-2,1lambda~6~-benzoxathiole-1,1(3H)-dione--2-{(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl}-1-phenylethan-1-one (1/1)

Molecular Formula	C43H41Br4NO7S
Molecular Weight	1030.9337 g/mol
LogP	11.01144
Topological Polar Surface Area	133.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	1030.9337
Monoisotopic Mass	1030.9337
Heavy Atoms	56
Complexity	1150.0

Chemical Identifiers

CAS Number	101686-76-4
SMILES	CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)Br)Br)O)Br.CN1[C@H](CCC[C@@H]1CC(=O)C2=CC=CC=C2)C[C@@H](C3=CC=CC=C3)O
InChIKey	PNZXTHVTWKIOAM-ODYJERINSA-N