AC1L9K1D
4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride;4-methylbenzenesulfonic acid
Also Known As: 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met|4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride; 4-methylbenzenesulfonic acid|4-[[4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride;4-methylbenzenesulfonic acid|4-Methylbenzene-1-sulfonic acid--4-{[(4-{[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)methyl]carbamoyl}benzene-1-sulfonyl fluoride (1/1)
| Molecular Formula | C32H28Cl2FN5O7S2 |
|---|---|
| Molecular Weight | 747.0791 g/mol |
| LogP | 6.02372 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 747.0791 |
| Monoisotopic Mass | 747.0791 |
| Heavy Atoms | 49 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 20135-35-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)F)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl |
| InChIKey | KIPFQMLQDDZJSV-UHFFFAOYSA-N |
Product Overview
AC1L9K1D (CAS 20135-35-7), with molecular formula C32H28Cl2FN5O7S2 and molecular weight 747.0791 g/mol. IUPAC: 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride;4-methylbenzenesulfonic acid.