8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0590 |
| Compound Name: | 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C21 H26 N6 O4 |
| Smiles: | CC(Cn1c2C(NC(N(C)c2nc1CN1CCN(CC1)c1ccc(cc1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0391 |
| logD: | 1.0337 |
| logSw: | -2.1334 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.738 |
| InChI Key: | OPNLXVUYBTXTLR-UHFFFAOYSA-N |