8-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3871-0088 |
| Compound Name: | 8-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 479.36 |
| Molecular Formula: | C21 H17 Cl2 F N4 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2)[Cl])SCc2c(cccc2[Cl])F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8071 |
| logD: | 5.8071 |
| logSw: | -5.9285 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.015 |
| InChI Key: | PIDXWILFAFSMNQ-UHFFFAOYSA-N |