AC1O5L66
7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
Also Known As: BAS 15375074|VU0512737-1|F3176-0231|7-(3-(3,4-dimethylphenoxy)-2-hydroxypropyl)-1,3-dimethyl-8-morpholino-1H-purine-2,6(3H,7H)-dione|7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione|7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C22H29N5O5 |
|---|---|
| Molecular Weight | 443.21686 g/mol |
| LogP | 0.32704 |
| Topological Polar Surface Area | 103.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.21686 |
| Monoisotopic Mass | 443.21686 |
| Heavy Atoms | 32 |
| Complexity | 1252.3008 |
Chemical Identifiers
| CAS Number | 879072-40-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCC(CN2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C)O)C |
Product Overview
AC1O5L66 (CAS 879072-40-9), with molecular formula C22H29N5O5 and molecular weight 443.21686 g/mol. IUPAC: 7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione.
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