8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0373 |
| Compound Name: | 8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C25 H30 N6 O3 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)CCO)n2Cc2cccc3ccccc23)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3176 |
| logD: | 1.9395 |
| logSw: | -2.732 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.588 |
| InChI Key: | MLJLBAWSOLFFDJ-UHFFFAOYSA-N |