7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4236-0982 |
| Compound Name: | 7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 480.48 |
| Molecular Formula: | C23 H24 N6 O6 |
| Smiles: | CN1C(NC(c2c1nc(NCCc1ccccc1)n2CC(COc1ccc(cc1)[N+]([O-])=O)O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0162 |
| logD: | 3.016 |
| logSw: | -3.4822 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.102 |
| InChI Key: | OYRWIRGDCOJZKT-KRWDZBQOSA-N |