1,3,7-trimethyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3,7-trimethyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
1,3,7-trimethyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3462-0288 |
| Compound Name: | 1,3,7-trimethyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 389.39 |
| Molecular Formula: | C16 H15 N5 O5 S |
| Smiles: | CN1C(c2c(nc(n2C)SCC(c2ccc(cc2)[N+]([O-])=O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1354 |
| logD: | 2.1354 |
| logSw: | -2.6037 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 90.725 |
| InChI Key: | MZKIFZZUTISZMW-UHFFFAOYSA-N |