3-methyl-8-(morpholin-4-yl)-7-{3-[(pyrimidin-2-yl)sulfanyl]propyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-8-(morpholin-4-yl)-7-{3-[(pyrimidin-2-yl)sulfanyl]propyl}-3,7-dihydro-1H-purine-2,6-dione
3-methyl-8-(morpholin-4-yl)-7-{3-[(pyrimidin-2-yl)sulfanyl]propyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0096 |
| Compound Name: | 3-methyl-8-(morpholin-4-yl)-7-{3-[(pyrimidin-2-yl)sulfanyl]propyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C17 H21 N7 O3 S |
| Smiles: | CN1C(NC(c2c1nc(N1CCOCC1)n2CCCSc1ncccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1385 |
| logD: | 1.1384 |
| logSw: | -2.3198 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.656 |
| InChI Key: | BZBFNWYUAWUMEF-UHFFFAOYSA-N |