AC1L7D0B
4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride
Also Known As: 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride|4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopro|4-[2-[[4-(6-Amino-7h-purin-8-yl)phenyl]methylcarbamoyl]ethyl]benzenesulfonyl fluoride|4-[3-({[4-(6-Amino-7H-purin-8-yl)phenyl]methyl}amino)-3-oxopropyl]benzene-1-sulfonyl fluoride
| Molecular Formula | C21H19FN6O3S |
|---|---|
| Molecular Weight | 454.12234 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.12234 |
| Monoisotopic Mass | 454.12234 |
| Heavy Atoms | 32 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 42447-72-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC(=O)NCC2=CC=C(C=C2)C3=NC4=NC=NC(=C4N3)N)S(=O)(=O)F |
| InChIKey | UMKASRNVZRCYAD-UHFFFAOYSA-N |
Product Overview
AC1L7D0B (CAS 42447-72-3), with molecular formula C21H19FN6O3S and molecular weight 454.12234 g/mol. IUPAC: 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride.
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