AC1O3SVX
4-benzamido-6-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonic acid
Also Known As: 4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid|(6E)-4-benzamido-6-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonaphthalen-2-yl]hydrazinylidene]-5-oxonaphthalene-1,7-disulfonic acid|(6Z)-4-benzamido-6-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonaphthalen-2-yl]hydrazinylidene]-5-oxonaphthalene-1,7-disulfonic acid|4-(Benzoylamino)-6-[[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]azo]-5-hydroxy-1,7-naphthalenedisulfonic acid|4-benzamido-6-[2-(5-{[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl}-1-sulfonaphthalen-2-yl)diazen-1-yl]-5-hydroxynaphthalene-1,7-disulfonic acid
| Molecular Formula | C32H21ClF2N6O11S3 |
|---|---|
| Molecular Weight | 834.0087 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 300.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 834.0087 |
| Monoisotopic Mass | 834.0087 |
| Heavy Atoms | 55 |
| Complexity | 1730.0 |
Chemical Identifiers
| CAS Number | 52084-86-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)O)C=C(C(=C3O)N=NC4=C(C5=CC=CC(=C5C=C4)CNC6=C(C(=NC(=N6)F)F)Cl)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | GNLPOEKOYFYJPF-UHFFFAOYSA-N |
Product Overview
AC1O3SVX (CAS 52084-86-3), with molecular formula C32H21ClF2N6O11S3 and molecular weight 834.0087 g/mol. IUPAC: 4-benzamido-6-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonic acid.