7-benzyl-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0213 |
| Compound Name: | 7-benzyl-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 464.95 |
| Molecular Formula: | C24 H25 Cl N6 O2 |
| Smiles: | CN1C(NC(c2c1nc(CN1CCN(CC1)c1cccc(c1)[Cl])n2Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5411 |
| logD: | 3.5389 |
| logSw: | -3.8694 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.587 |
| InChI Key: | QNKCYRFVCIAPFT-UHFFFAOYSA-N |