8-[(2-hydroxypropyl)sulfanyl]-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(2-hydroxypropyl)sulfanyl]-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-[(2-hydroxypropyl)sulfanyl]-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0163 |
| Compound Name: | 8-[(2-hydroxypropyl)sulfanyl]-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 360.43 |
| Molecular Formula: | C17 H20 N4 O3 S |
| Smiles: | CC(CSc1nc2c(C(NC(N2C)=O)=O)n1Cc1cccc(C)c1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7039 |
| logD: | 2.7038 |
| logSw: | -3.0407 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.678 |
| InChI Key: | LLZLKHRQUWGUCX-NSHDSACASA-N |