7-(3-hydroxypropyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(3-hydroxypropyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-(3-hydroxypropyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0500 |
| Compound Name: | 7-(3-hydroxypropyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C21 H28 N6 O4 |
| Smiles: | CN1C(NC(c2c1nc(CN1CCN(CC1)c1ccc(cc1)OC)n2CCCO)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9891 |
| logD: | 0.9825 |
| logSw: | -2.005 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.037 |
| InChI Key: | KCSQATBGGRQEME-UHFFFAOYSA-N |