7-[(3-chlorophenyl)methyl]-8-{[(3-iodophenyl)methyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-8-{[(3-iodophenyl)methyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-8-{[(3-iodophenyl)methyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3736-0396 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-8-{[(3-iodophenyl)methyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 552.82 |
| Molecular Formula: | C21 H18 Cl I N4 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2cccc(c2)[Cl])SCc2cccc(c2)I)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0355 |
| logD: | 6.0355 |
| logSw: | -6.1006 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.015 |
| InChI Key: | YAYMKLTVZLHIEV-UHFFFAOYSA-N |