AC1L8JBW
3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]-4-methylbenzenesulfonyl fluoride;sulfuric acid
Also Known As: 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]-4-methylbenzenesulfonyl fluoride; sulfuric acid|3-[[4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]-4-methylbenzenesulfonyl fluoride;sulfuric acid|Sulfuric acid--3-{[(4-{[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)methyl]carbamoyl}-4-methylbenzene-1-sulfonyl fluoride (1/1)
| Molecular Formula | C26H24Cl2FN5O8S2 |
|---|---|
| Molecular Weight | 687.0427 g/mol |
| LogP | 4.43762 |
| Topological Polar Surface Area | 242.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 687.0427 |
| Monoisotopic Mass | 687.0427 |
| Heavy Atoms | 44 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 20105-66-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)F)C(=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 | NNTMZHVFDNDSIR-UHFFFAOYSA-N |
Product Overview
AC1L8JBW (CAS 20105-66-2), with molecular formula C26H24Cl2FN5O8S2 and molecular weight 687.0427 g/mol. IUPAC: 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]-4-methylbenzenesulfonyl fluoride;sulfuric acid.
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