7-[(2-chlorophenyl)methyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0049 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 418.88 |
| Molecular Formula: | C19 H23 Cl N6 O3 |
| Smiles: | CN1C(NC(c2c1nc(N1CCN(CC1)CCO)n2Cc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1051 |
| logD: | 1.2283 |
| logSw: | -2.7916 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.057 |
| InChI Key: | JVLLICKMVOYLJF-UHFFFAOYSA-N |