AC1MJQB3
7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione
Also Known As: Oprea1_410229|BAS 02378798|7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione|AG-690/40639748|SR-01000506687-1|F0823-0009|7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione|7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione|7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H28N6O4 |
|---|---|
| Molecular Weight | 428.2172 g/mol |
| LogP | -0.1648 |
| Topological Polar Surface Area | 117.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.2172 |
| Monoisotopic Mass | 428.2172 |
| Heavy Atoms | 31 |
| Complexity | 1157.5571 |
Chemical Identifiers
| CAS Number | 335403-13-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C)O |
Product Overview
AC1MJQB3 (CAS 335403-13-9), with molecular formula C21H28N6O4 and molecular weight 428.2172 g/mol. IUPAC: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione.
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