AC1L489Q
2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol;(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
Also Known As: 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl-, S,S-dioxide, compd. with (3S-cis)-3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-2(3H)-furanone (1:1)|(3S,4R)-3-Ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]oxolan-2-one--3,3-bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-2,1lambda~6~-benzoxathiole-1,1(3H)-dione (1/1)|2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-3-methylphenol;(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one|3,3-Bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-2,1lambda~6~-benzoxathiole-1,1(3H)-dione--3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]oxolan-2-one (1/1)
| Molecular Formula | C32H30Br4N2O7S |
|---|---|
| Molecular Weight | 901.8507 g/mol |
| LogP | 7.93724 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 901.8507 |
| Monoisotopic Mass | 901.8507 |
| Heavy Atoms | 46 |
| Complexity | 987.0 |
Chemical Identifiers
| CAS Number | 101686-75-3 |
|---|---|
| SMILES | CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C.CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)Br)Br)O)Br |
| InChIKey | PBZYCDMBVRJGEC-CGUPRBNSSA-N |
Product Overview
AC1L489Q (CAS 101686-75-3), with molecular formula C32H30Br4N2O7S and molecular weight 901.8507 g/mol. IUPAC: 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol;(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one.