2,9-dimethyl-8-{[(3-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
2,9-dimethyl-8-{[(3-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
2,9-dimethyl-8-{[(3-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0253 |
| Compound Name: | 2,9-dimethyl-8-{[(3-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 300.38 |
| Molecular Formula: | C15 H16 N4 O S |
| Smiles: | CC1NC(c2c(N=1)n(C)c(n2)SCc1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.887 |
| logD: | 2.8861 |
| logSw: | -3.2222 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.412 |
| InChI Key: | PTVKDLYDCCVQTJ-UHFFFAOYSA-N |