3-methyl-7-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-7-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
3-methyl-7-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0105 |
| Compound Name: | 3-methyl-7-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C16 H21 N7 O3 S2 |
| Smiles: | Cc1nnc(SCCCn2c3C(NC(N(C)c3nc2N2CCOCC2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.4204 |
| logD: | 1.4203 |
| logSw: | -2.1459 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.17 |
| InChI Key: | XGOKLKLBGLKVNW-UHFFFAOYSA-N |