7-[(2-chloro-5-methoxyphenyl)methyl]-8-(hexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-5-methoxyphenyl)methyl]-8-(hexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-5-methoxyphenyl)methyl]-8-(hexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D114-0048 |
| Compound Name: | 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(hexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 433.94 |
| Molecular Formula: | C21 H28 Cl N5 O3 |
| Smiles: | CCCCCCNc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cc(ccc1[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 5.2184 |
| logD: | 5.2183 |
| logSw: | -5.7125 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.503 |
| InChI Key: | BMTYBNKWARNRGT-UHFFFAOYSA-N |