3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C101-0103 |
| Compound Name: | 3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C21 H24 N8 O2 S2 |
| Smiles: | Cc1nnc(SCCn2c3C(NC(N(C)c3nc2N2CCN(CC2)c2ccccc2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.6918 |
| logD: | 2.6917 |
| logSw: | -3.181 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.522 |
| InChI Key: | ZVKVHCIQUFYYAJ-UHFFFAOYSA-N |