2-[(6-amino-9H-purin-8-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(6-amino-9H-purin-8-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
2-[(6-amino-9H-purin-8-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-1593 |
| Compound Name: | 2-[(6-amino-9H-purin-8-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 369.45 |
| Molecular Formula: | C17 H19 N7 O S |
| Smiles: | C1CN(CCN1C(CSc1nc2c(N)ncnc2[nH]1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.0691 |
| logD: | 0.8421 |
| logSw: | -2.1972 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.236 |
| InChI Key: | NPECIKNPNFLFCI-UHFFFAOYSA-N |