7-[(2-chloro-5-methoxyphenyl)methyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-5-methoxyphenyl)methyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-5-methoxyphenyl)methyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D114-0044 |
| Compound Name: | 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 446.94 |
| Molecular Formula: | C21 H27 Cl N6 O3 |
| Smiles: | CCN1CCN(CC1)c1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cc(ccc1[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 3.3812 |
| logD: | 1.6253 |
| logSw: | -3.4864 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.778 |
| InChI Key: | IXWYCZDCKBWMLR-UHFFFAOYSA-N |