AC1NKCMG
methyl 2-[8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate
Also Known As: AB00433367-09|F0634-0449|methyl (8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate|methyl 2-(8-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate|methyl 2-[8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate|methyl 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate|methyl 2-(8-{[4-(4-fluorophenyl)piperazinyl]methyl}-1,3-dimethyl-2,6-dioxo-1,3 ,7-trihydropurin-7-yl)acetate
| Molecular Formula | C21H25FN6O4 |
|---|---|
| Molecular Weight | 444.19214 g/mol |
| LogP | 0.068 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.19214 |
| Monoisotopic Mass | 444.19214 |
| Heavy Atoms | 32 |
| Complexity | 1268.6575 |
Chemical Identifiers
| CAS Number | 851940-48-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)F)CC(=O)OC |
Product Overview
AC1NKCMG (CAS 851940-48-2), with molecular formula C21H25FN6O4 and molecular weight 444.19214 g/mol. IUPAC: methyl 2-[8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate.
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