AC1L9IVQ
3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;sulfuric acid
Also Known As: 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoylamino]benzenesulfonyl fluoride|3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoylamino]benzenesulfonyl fluoride; sulfuric acid|3-[[4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;sulfuric acid|Sulfuric acid--3-({[(4-{[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)methyl]carbamoyl}amino)benzene-1-sulfonyl fluoride (1/1)
| Molecular Formula | C25H23Cl2FN6O8S2 |
|---|---|
| Molecular Weight | 688.03796 g/mol |
| LogP | 4.5209 |
| Topological Polar Surface Area | 254.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 688.03796 |
| Monoisotopic Mass | 688.03796 |
| Heavy Atoms | 44 |
| Complexity | 991.0 |
Chemical Identifiers
| CAS Number | 20144-00-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)F)NC(=O)NCC2=CC=C(C=C2)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl.OS(=O)(=O)O |
| InChIKey | ISOLYBKRVZVWSM-UHFFFAOYSA-N |
Product Overview
AC1L9IVQ (CAS 20144-00-7), with molecular formula C25H23Cl2FN6O8S2 and molecular weight 688.03796 g/mol. IUPAC: 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;sulfuric acid.