1,3,9-trimethyl-8-{[(4-nitrophenyl)methyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3,9-trimethyl-8-{[(4-nitrophenyl)methyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione
1,3,9-trimethyl-8-{[(4-nitrophenyl)methyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | G856-8494 |
| Compound Name: | 1,3,9-trimethyl-8-{[(4-nitrophenyl)methyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 361.38 |
| Molecular Formula: | C15 H15 N5 O4 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3328 |
| logD: | 2.3328 |
| logSw: | -2.6326 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.421 |
| InChI Key: | WDXSEXQSLQZYPO-UHFFFAOYSA-N |