7-[(4-bromophenyl)methyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-bromophenyl)methyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-bromophenyl)methyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-5397 |
| Compound Name: | 7-[(4-bromophenyl)methyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 461.36 |
| Molecular Formula: | C20 H25 Br N6 O2 |
| Smiles: | CCN1CCN(CC1)c1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.5359 |
| logD: | 1.78 |
| logSw: | -3.3805 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.234 |
| InChI Key: | RTGXRLJBELMIMZ-UHFFFAOYSA-N |