2-(3-methoxyanilino)-9-(3-methoxyphenyl)-6-methyl-9H-purine-8-thiol
Chemical Structure Depiction of
2-(3-methoxyanilino)-9-(3-methoxyphenyl)-6-methyl-9H-purine-8-thiol
2-(3-methoxyanilino)-9-(3-methoxyphenyl)-6-methyl-9H-purine-8-thiol
Compound characteristics
| Compound ID: | C301-8142 |
| Compound Name: | 2-(3-methoxyanilino)-9-(3-methoxyphenyl)-6-methyl-9H-purine-8-thiol |
| Molecular Weight: | 393.47 |
| Molecular Formula: | C20 H19 N5 O2 S |
| Smiles: | Cc1c2c(nc(Nc3cccc(c3)OC)n1)n(c1cccc(c1)OC)c(n2)S |
| Stereo: | ACHIRAL |
| logP: | 4.6764 |
| logD: | 4.6646 |
| logSw: | -4.5176 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.877 |
| InChI Key: | FLMQXTABSKRTIJ-UHFFFAOYSA-N |