7-butyl-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-butyl-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-butyl-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0053 |
| Compound Name: | 7-butyl-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 347.46 |
| Molecular Formula: | C18 H29 N5 O2 |
| Smiles: | CCCCn1c2C(N(C)C(N(C)c2nc1CN1CCC(C)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8515 |
| logD: | 2.6828 |
| logSw: | -2.7922 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.663 |
| InChI Key: | PCSDOUPSUNYIQQ-UHFFFAOYSA-N |