8-[(4-aminophenyl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-aminophenyl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(4-aminophenyl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C301-9134 |
| Compound Name: | 8-[(4-aminophenyl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 317.37 |
| Molecular Formula: | C14 H15 N5 O2 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2ccc(cc2)N)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.545 |
| logD: | 1.5448 |
| logSw: | -2.3604 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.902 |
| InChI Key: | BZOGGQXCZDDMPR-UHFFFAOYSA-N |