AC1LCHM2
8-(azepan-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 06503120|VU0489329-1|AB00409406-09|SR-01000365056-1|8-(azepan-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|F1532-0047|8-Azepan-1-yl-7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione|8-(azepan-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione|8-(azepan-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-(azepan-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H29N5O4 |
|---|---|
| Molecular Weight | 427.22195 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.22195 |
| Monoisotopic Mass | 427.22195 |
| Heavy Atoms | 31 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 799258-01-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CC(COC4=CC=CC=C4)O |
| InChIKey | YNARQTRGBVMTCM-UHFFFAOYSA-N |
Product Overview
AC1LCHM2 (CAS 799258-01-8), with molecular formula C22H29N5O4 and molecular weight 427.22195 g/mol. IUPAC: 8-(azepan-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione.
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