8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-7-{2-[(pyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-7-{2-[(pyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-7-{2-[(pyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | IB08-0070 |
| Compound Name: | 8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-7-{2-[(pyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C24 H28 N8 O2 S |
| Smiles: | CN1C(c2c(nc(N3CCN(CC3)Cc3ccccc3)n2CCSc2ncccn2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.51 |
| logD: | 2.46 |
| logSw: | -3.4 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 130.48 |
| InChI Key: | ZXURCMPGNYBLEV-UHFFFAOYSA-N |