7-[(2-chloro-5-methoxyphenyl)methyl]-8-[(2-methoxyethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-5-methoxyphenyl)methyl]-8-[(2-methoxyethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-5-methoxyphenyl)methyl]-8-[(2-methoxyethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D114-0045 |
| Compound Name: | 7-[(2-chloro-5-methoxyphenyl)methyl]-8-[(2-methoxyethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 407.86 |
| Molecular Formula: | C18 H22 Cl N5 O4 |
| Smiles: | CN1C(c2c(nc(NCCOC)n2Cc2cc(ccc2[Cl])OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9738 |
| logD: | 2.9737 |
| logSw: | -3.5375 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.846 |
| InChI Key: | UZLSKEXFONBEDA-UHFFFAOYSA-N |