8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0716 |
| Compound Name: | 8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 542.73 |
| Molecular Formula: | C32 H42 N6 O2 |
| Smiles: | CCCCCCCn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3489 |
| logD: | 6.3121 |
| logSw: | -5.477 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.224 |
| InChI Key: | YZTJMMCPQTXYPU-UHFFFAOYSA-N |