8-bromo-7-(3-chloro-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-bromo-7-(3-chloro-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-bromo-7-(3-chloro-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 0543-0024 |
| Compound Name: | 8-bromo-7-(3-chloro-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 337.56 |
| Molecular Formula: | C9 H10 Br Cl N4 O3 |
| Smiles: | CN1C(NC(c2c1nc(n2CC(C[Cl])O)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.801 |
| logD: | 0.7494 |
| logSw: | -1.7473 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.109 |
| InChI Key: | LRAGDSCIFYPBAV-SCSAIBSYSA-N |