7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8015-0513 |
| Compound Name: | 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 445.9 |
| Molecular Formula: | C20 H17 Cl F N5 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2c(cccc2[Cl])F)SCc2ccccn2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0031 |
| logD: | 3.9968 |
| logSw: | -4.2783 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.558 |
| InChI Key: | CPJZOLJMYKSBPF-UHFFFAOYSA-N |