7-butyl-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-butyl-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-butyl-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0106 |
| Compound Name: | 7-butyl-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 430.94 |
| Molecular Formula: | C21 H27 Cl N6 O2 |
| Smiles: | CCCCn1c2C(NC(N(C)c2nc1CN1CCN(CC1)c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2526 |
| logD: | 3.2459 |
| logSw: | -3.5661 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.837 |
| InChI Key: | XBXPHFLGJUURMA-UHFFFAOYSA-N |