7-{2-[(1,3-benzoxazol-2-yl)sulfanyl]ethyl}-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-{2-[(1,3-benzoxazol-2-yl)sulfanyl]ethyl}-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-{2-[(1,3-benzoxazol-2-yl)sulfanyl]ethyl}-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0060 |
| Compound Name: | 7-{2-[(1,3-benzoxazol-2-yl)sulfanyl]ethyl}-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C19 H20 N6 O3 S |
| Smiles: | CN1C(NC(c2c1nc(N1CCCC1)n2CCSc1nc2ccccc2o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3258 |
| logD: | 3.3257 |
| logSw: | -3.6483 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.619 |
| InChI Key: | CYAIQDFDENZDGO-UHFFFAOYSA-N |