7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0136 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 402.88 |
| Molecular Formula: | C19 H23 Cl N6 O2 |
| Smiles: | CN1CCN(CC1)c1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.0127 |
| logD: | 1.4075 |
| logSw: | -3.3686 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.174 |
| InChI Key: | KVNPKLQFSJNNNR-UHFFFAOYSA-N |