7-hexyl-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-hexyl-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-hexyl-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0690 |
| Compound Name: | 7-hexyl-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 468.6 |
| Molecular Formula: | C25 H36 N6 O3 |
| Smiles: | CCCCCCn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3318 |
| logD: | 4.33 |
| logSw: | -4.2334 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.467 |
| InChI Key: | IJOUSOKXPSAZPX-UHFFFAOYSA-N |