7-[(4-bromophenyl)methyl]-8-[(1,3-dihydroxypropan-2-yl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-bromophenyl)methyl]-8-[(1,3-dihydroxypropan-2-yl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-bromophenyl)methyl]-8-[(1,3-dihydroxypropan-2-yl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D114-0013 |
| Compound Name: | 7-[(4-bromophenyl)methyl]-8-[(1,3-dihydroxypropan-2-yl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 438.28 |
| Molecular Formula: | C17 H20 Br N5 O4 |
| Smiles: | CN1C(c2c(nc(NC(CO)CO)n2Cc2ccc(cc2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0956 |
| logD: | 2.0955 |
| logSw: | -2.6276 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.257 |
| InChI Key: | XGAUFRYSPBOAAH-UHFFFAOYSA-N |