8-(4-benzylpiperazin-1-yl)-3-methyl-7-{3-[(pyrimidin-2-yl)sulfanyl]propyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-benzylpiperazin-1-yl)-3-methyl-7-{3-[(pyrimidin-2-yl)sulfanyl]propyl}-3,7-dihydro-1H-purine-2,6-dione
8-(4-benzylpiperazin-1-yl)-3-methyl-7-{3-[(pyrimidin-2-yl)sulfanyl]propyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0095 |
| Compound Name: | 8-(4-benzylpiperazin-1-yl)-3-methyl-7-{3-[(pyrimidin-2-yl)sulfanyl]propyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C24 H28 N8 O2 S |
| Smiles: | CN1C(NC(c2c1nc(N1CCN(CC1)Cc1ccccc1)n2CCCSc1ncccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6135 |
| logD: | 1.9106 |
| logSw: | -3.0875 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.288 |
| InChI Key: | CTTYLIXHSOOEJS-UHFFFAOYSA-N |