8-(ethylsulfanyl)-7-[(3-iodophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(ethylsulfanyl)-7-[(3-iodophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(ethylsulfanyl)-7-[(3-iodophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8013-8469 |
| Compound Name: | 8-(ethylsulfanyl)-7-[(3-iodophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 456.3 |
| Molecular Formula: | C16 H17 I N4 O2 S |
| Smiles: | CCSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cccc(c1)I |
| Stereo: | ACHIRAL |
| logP: | 4.2963 |
| logD: | 4.2963 |
| logSw: | -4.3307 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.286 |
| InChI Key: | FSNIZJLYJGOZTO-UHFFFAOYSA-N |