3-methyl-7-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}-8-(piperidin-1-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-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-methyl-7-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0104 |
| Compound Name: | 3-methyl-7-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C17 H23 N7 O2 S2 |
| Smiles: | Cc1nnc(SCCCn2c3C(NC(N(C)c3nc2N2CCCCC2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.5791 |
| logD: | 2.579 |
| logSw: | -2.7021 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.261 |
| InChI Key: | NBMNVSIJFWSQHT-UHFFFAOYSA-N |