8-bromo-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-bromo-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-bromo-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3320-0121 |
| Compound Name: | 8-bromo-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 440.21 |
| Molecular Formula: | C15 H14 Br N5 O6 |
| Smiles: | CN1C(NC(c2c1nc(n2CC(COc1ccc(cc1)[N+]([O-])=O)O)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0363 |
| logD: | 1.9847 |
| logSw: | -2.7182 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.718 |
| InChI Key: | LSIRNUTZBSBOIZ-VIFPVBQESA-N |