7-butyl-8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-butyl-8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-butyl-8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0102 |
| Compound Name: | 7-butyl-8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 348.45 |
| Molecular Formula: | C17 H28 N6 O2 |
| Smiles: | CCCCn1c2C(NC(N(C)c2nc1CN1CCN(CC)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1965 |
| logD: | 0.0857 |
| logSw: | -1.8242 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.114 |
| InChI Key: | JBZSHDCIIPMBRM-UHFFFAOYSA-N |