9-(4-methoxyphenyl)-6-methyl-2-(pyrrolidin-1-yl)-9H-purine-8-thiol
Chemical Structure Depiction of
9-(4-methoxyphenyl)-6-methyl-2-(pyrrolidin-1-yl)-9H-purine-8-thiol
9-(4-methoxyphenyl)-6-methyl-2-(pyrrolidin-1-yl)-9H-purine-8-thiol
Compound characteristics
| Compound ID: | C301-7939 |
| Compound Name: | 9-(4-methoxyphenyl)-6-methyl-2-(pyrrolidin-1-yl)-9H-purine-8-thiol |
| Molecular Weight: | 341.43 |
| Molecular Formula: | C17 H19 N5 O S |
| Smiles: | Cc1c2c(nc(n1)N1CCCC1)n(c1ccc(cc1)OC)c(n2)S |
| Stereo: | ACHIRAL |
| logP: | 3.7587 |
| logD: | 3.7394 |
| logSw: | -4.0553 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.032 |
| InChI Key: | ROKPYASKEXFQIU-UHFFFAOYSA-N |