1,3-dimethyl-7-(3-methylbutyl)-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-(3-methylbutyl)-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-(3-methylbutyl)-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0658 |
| Compound Name: | 1,3-dimethyl-7-(3-methylbutyl)-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 424.55 |
| Molecular Formula: | C23 H32 N6 O2 |
| Smiles: | CC(C)CCn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5065 |
| logD: | 3.5047 |
| logSw: | -3.5166 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.923 |
| InChI Key: | KRTUMWBHOJDURR-UHFFFAOYSA-N |