7-butyl-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-butyl-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-butyl-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0069 |
| Compound Name: | 7-butyl-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 500.64 |
| Molecular Formula: | C29 H36 N6 O2 |
| Smiles: | CCCCn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7096 |
| logD: | 4.6728 |
| logSw: | -4.0779 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.224 |
| InChI Key: | HJZYGEUTLUWORN-UHFFFAOYSA-N |