2-(3-methylanilino)-9-(3-methylphenyl)-9H-purine-8-thiol
Chemical Structure Depiction of
2-(3-methylanilino)-9-(3-methylphenyl)-9H-purine-8-thiol
2-(3-methylanilino)-9-(3-methylphenyl)-9H-purine-8-thiol
Compound characteristics
| Compound ID: | C301-7111 |
| Compound Name: | 2-(3-methylanilino)-9-(3-methylphenyl)-9H-purine-8-thiol |
| Molecular Weight: | 347.44 |
| Molecular Formula: | C19 H17 N5 S |
| Smiles: | Cc1cccc(c1)Nc1ncc2c(n1)n(c1cccc(C)c1)c(n2)S |
| Stereo: | ACHIRAL |
| logP: | 4.8636 |
| logD: | 4.8622 |
| logSw: | -4.5296 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.964 |
| InChI Key: | MFECBLHNNQJLPW-UHFFFAOYSA-N |