AC1NJQ2O
7-[(4-chlorophenyl)methyl]-3-methyl-8-[4-(3-methylbutyl)piperazin-1-yl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5837516:001|NCGC00283127-01|AB01288543-01|7-(4-chlorobenzyl)-8-(4-isopentylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione|7-[(4-chlorophenyl)methyl]-3-methyl-8-[4-(3-methylbutyl)piperazin-1-yl]purine-2,6-dione|F2636-0412|7-(4-chlorobenzyl)-6-hydroxy-3-methyl-8-[4-(3-methylbutyl)piperazin-1-yl]-3,7-dihydro-2H-purin-2-one|7-[(4-chlorophenyl)methyl]-3-methyl-8-[4-(3-methylbutyl)piperazinyl]-1,3,7-tri hydropurine-2,6-dione
| Molecular Formula | C22H29ClN6O2 |
|---|---|
| Molecular Weight | 444.20404 g/mol |
| LogP | 2.2931 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.20404 |
| Monoisotopic Mass | 444.20404 |
| Heavy Atoms | 31 |
| Complexity | 1169.6598 |
Chemical Identifiers
| CAS Number | 895832-75-4 |
|---|---|
| SMILES | CC(C)CCN1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)NC(=O)N3C |
Product Overview
AC1NJQ2O (CAS 895832-75-4), with molecular formula C22H29ClN6O2 and molecular weight 444.20404 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-3-methyl-8-[4-(3-methylbutyl)piperazin-1-yl]purine-2,6-dione.
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