7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0133 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 387.87 |
| Molecular Formula: | C19 H22 Cl N5 O2 |
| Smiles: | CN1C(c2c(nc(N3CCCCC3)n2Cc2cccc(c2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1946 |
| logD: | 4.1944 |
| logSw: | -4.4537 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.697 |
| InChI Key: | KEWBRJOMTXBJAL-UHFFFAOYSA-N |