8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0613 |
| Compound Name: | 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 446.94 |
| Molecular Formula: | C21 H27 Cl N6 O3 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)c3cccc(c3)[Cl])n2CCCO)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8843 |
| logD: | 1.8825 |
| logSw: | -2.6685 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.579 |
| InChI Key: | PYWKUWYGUHYCHO-UHFFFAOYSA-N |