7-[(2-chloro-6-fluorophenyl)methyl]-8-(ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-6-fluorophenyl)methyl]-8-(ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-6-fluorophenyl)methyl]-8-(ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4137-0188 |
| Compound Name: | 7-[(2-chloro-6-fluorophenyl)methyl]-8-(ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 382.84 |
| Molecular Formula: | C16 H16 Cl F N4 O2 S |
| Smiles: | CCSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.9926 |
| logD: | 3.9926 |
| logSw: | -4.3057 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.286 |
| InChI Key: | VKTGIZQCQPSIIT-UHFFFAOYSA-N |