7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-{[(pyridin-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-{[(pyridin-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-{[(pyridin-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D114-0042 |
| Compound Name: | 7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-{[(pyridin-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 440.89 |
| Molecular Formula: | C21 H21 Cl N6 O3 |
| Smiles: | CN1C(c2c(nc(NCc3ccccn3)n2Cc2cc(ccc2[Cl])OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.334 |
| logD: | 3.3251 |
| logSw: | -3.5073 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.933 |
| InChI Key: | ZIRJDLACNFPJPF-UHFFFAOYSA-N |