7-butyl-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-butyl-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-butyl-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0109 |
| Compound Name: | 7-butyl-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 426.52 |
| Molecular Formula: | C22 H30 N6 O3 |
| Smiles: | CCCCn1c2C(NC(N(C)c2nc1CN1CCN(CC1)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7729 |
| logD: | 2.7662 |
| logSw: | -3.2086 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.381 |
| InChI Key: | UCENDVBCNJEMRU-UHFFFAOYSA-N |