AC1NK9ER
ethyl 4-[[7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
Also Known As: NCGC00308424-01|AB01304779-01|ethyl 4-[[7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate|ETHYL 4-({7-[(2-CHLORO-6-FLUOROPHENYL)METHYL]-3-METHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL}METHYL)PIPERAZINE-1-CARBOXYLATE|ethyl 4-({7-[(6-chloro-2-fluorophenyl)methyl]-3-methyl-2,6-dioxo-1,3,7-trihydr opurin-8-yl}methyl)piperazinecarboxylate|ethyl 4-{[7-(2-chloro-6-fluorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
| Molecular Formula | C21H24ClFN6O4 |
|---|---|
| Molecular Weight | 478.15317 g/mol |
| LogP | 1.5382 |
| Topological Polar Surface Area | 105.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.15317 |
| Monoisotopic Mass | 478.15317 |
| Heavy Atoms | 33 |
| Complexity | 1288.3027 |
Chemical Identifiers
| CAS Number | 862979-70-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)NC(=O)N3C |
Product Overview
AC1NK9ER (CAS 862979-70-2), with molecular formula C21H24ClFN6O4 and molecular weight 478.15317 g/mol. IUPAC: ethyl 4-[[7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate.
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