2-({6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-({6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one
2-({6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D058-0218 |
| Compound Name: | 2-({6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 503.63 |
| Molecular Formula: | C26 H29 N7 O2 S |
| Smiles: | Cc1ccccc1OCCn1c(nc2c(N)ncnc12)SCC(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8976 |
| logD: | 3.8974 |
| logSw: | -4.0554 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.749 |
| InChI Key: | SBMPZARNGCLORA-UHFFFAOYSA-N |