8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8255-1152 |
| Compound Name: | 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 430.94 |
| Molecular Formula: | C21 H27 Cl N6 O2 |
| Smiles: | CC(C)n1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0547 |
| logD: | 3.039 |
| logSw: | -3.3137 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.02 |
| InChI Key: | AQTHBXRSRLXOAJ-UHFFFAOYSA-N |