7-benzyl-8-[(2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-8-[(2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-8-[(2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4554-6870 |
| Compound Name: | 7-benzyl-8-[(2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 360.43 |
| Molecular Formula: | C17 H20 N4 O3 S |
| Smiles: | CC(CSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4728 |
| logD: | 2.4728 |
| logSw: | -2.6366 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.764 |
| InChI Key: | GPYLJSOXMBAIPW-NSHDSACASA-N |