1,3,9-trimethyl-8-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3,9-trimethyl-8-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione
1,3,9-trimethyl-8-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | G856-8476 |
| Compound Name: | 1,3,9-trimethyl-8-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C20 H24 N6 O3 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCC(N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9807 |
| logD: | 1.9807 |
| logSw: | -2.2817 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.693 |
| InChI Key: | MSGVVXZJUGYDDJ-UHFFFAOYSA-N |