8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0589 |
| Compound Name: | 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 460.96 |
| Molecular Formula: | C22 H29 Cl N6 O3 |
| Smiles: | CCOCCn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.789 |
| logD: | 2.7885 |
| logSw: | -3.2662 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.901 |
| InChI Key: | FROSGWYWCKPZKI-UHFFFAOYSA-N |