8-bromo-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-bromo-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
8-bromo-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 0587-0058 |
| Compound Name: | 8-bromo-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 315.17 |
| Molecular Formula: | C11 H15 Br N4 O2 |
| Smiles: | CCCCCn1c2C(NC(N(C)c2nc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6989 |
| logD: | 2.6473 |
| logSw: | -2.7068 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.468 |
| InChI Key: | RNMASMHUOZXZPC-UHFFFAOYSA-N |