8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0541 |
| Compound Name: | 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 458.99 |
| Molecular Formula: | C23 H31 Cl N6 O2 |
| Smiles: | CCCCCn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3155 |
| logD: | 4.3137 |
| logSw: | -4.3694 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.923 |
| InChI Key: | JFIDNVVMCZCIKA-UHFFFAOYSA-N |