8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0630 |
| Compound Name: | 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 444.92 |
| Molecular Formula: | C21 H25 Cl N6 O3 |
| Smiles: | CC(C(C)=O)n1c2C(NC(N(C)c2nc1CN1CCN(CC1)c1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9182 |
| logD: | 1.9135 |
| logSw: | -3.0186 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.381 |
| InChI Key: | GJLRDFFGYYKMTC-ZDUSSCGKSA-N |