2-[(6-amino-9H-purin-8-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-[(6-amino-9H-purin-8-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one
2-[(6-amino-9H-purin-8-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8017-6306 |
| Compound Name: | 2-[(6-amino-9H-purin-8-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C18 H21 N7 O2 S |
| Smiles: | COc1ccccc1N1CCN(CC1)C(CSc1nc2c(N)ncnc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0698 |
| logD: | 0.8429 |
| logSw: | -2.1787 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.565 |
| InChI Key: | DEVICDXASPGEDX-UHFFFAOYSA-N |