8,8'-[methylenebis(sulfanediyl)]bis(7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione)
Chemical Structure Depiction of
8,8'-[methylenebis(sulfanediyl)]bis(7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione)
8,8'-[methylenebis(sulfanediyl)]bis(7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione)
Compound characteristics
| Compound ID: | 8015-2456 |
| Compound Name: | 8,8'-[methylenebis(sulfanediyl)]bis(7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione) |
| Molecular Weight: | 616.72 |
| Molecular Formula: | C29 H28 N8 O4 S2 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2)SCSc2nc3c(C(N(C)C(N3C)=O)=O)n2Cc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3326 |
| logD: | 5.3326 |
| logSw: | -5.3032 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.062 |
| InChI Key: | IQWVVCNKQXHWKS-UHFFFAOYSA-N |