2,9-dimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
2,9-dimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
2,9-dimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0248 |
| Compound Name: | 2,9-dimethyl-8-{[(2-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)SCc1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0406 |
| logD: | 3.036 |
| logSw: | -3.243 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.412 |
| InChI Key: | DOCJJWPKJXHQIE-UHFFFAOYSA-N |