8-[(4-ethylpiperazin-1-yl)methyl]-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-ethylpiperazin-1-yl)methyl]-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(4-ethylpiperazin-1-yl)methyl]-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0707 |
| Compound Name: | 8-[(4-ethylpiperazin-1-yl)methyl]-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 404.56 |
| Molecular Formula: | C21 H36 N6 O2 |
| Smiles: | CCCCCCCn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2513 |
| logD: | 2.1405 |
| logSw: | -3.0422 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.2 |
| InChI Key: | ULYAOFFUVUQXQN-UHFFFAOYSA-N |