8,8'-[methylenebis(sulfanediyl)]bis[7-(butan-2-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione]
Chemical Structure Depiction of
8,8'-[methylenebis(sulfanediyl)]bis[7-(butan-2-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione]
8,8'-[methylenebis(sulfanediyl)]bis[7-(butan-2-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione]
Compound characteristics
| Compound ID: | 3736-0275 |
| Compound Name: | 8,8'-[methylenebis(sulfanediyl)]bis[7-(butan-2-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione] |
| Molecular Weight: | 548.69 |
| Molecular Formula: | C23 H32 N8 O4 S2 |
| Smiles: | CCC(C)n1c2C(N(C)C(N(C)c2nc1SCSc1nc2c(C(N(C)C(N2C)=O)=O)n1C(C)CC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3438 |
| logD: | 4.3422 |
| logSw: | -4.1288 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.925 |
| InChI Key: | CLNJFWGEUHMYIN-UHFFFAOYSA-N |