7-butyl-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-butyl-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-butyl-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0059 |
| Compound Name: | 7-butyl-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 348.45 |
| Molecular Formula: | C17 H28 N6 O2 |
| Smiles: | CCCCn1c2C(N(C)C(N(C)c2nc1CN1CCN(C)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2673 |
| logD: | 0.2963 |
| logSw: | -1.1746 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.14 |
| InChI Key: | KWQBYJODTUTXDQ-UHFFFAOYSA-N |