7-[(3-chlorophenyl)methyl]-8-(hexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-8-(hexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-8-(hexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0130 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-8-(hexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 403.91 |
| Molecular Formula: | C20 H26 Cl N5 O2 |
| Smiles: | CCCCCCNc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1947 |
| logD: | 5.1945 |
| logSw: | -5.5153 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.959 |
| InChI Key: | KWHRNNYCVLEIHF-UHFFFAOYSA-N |