7-[(2-chloro-5-methoxyphenyl)methyl]-8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-5-methoxyphenyl)methyl]-8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-5-methoxyphenyl)methyl]-8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D114-0049 |
| Compound Name: | 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 431.92 |
| Molecular Formula: | C21 H26 Cl N5 O3 |
| Smiles: | CN1C(c2c(nc(NC3CCCCC3)n2Cc2cc(ccc2[Cl])OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8256 |
| logD: | 4.8256 |
| logSw: | -4.9192 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.115 |
| InChI Key: | DWBUXSFJQBTANJ-UHFFFAOYSA-N |