1-[(2-chlorophenyl)methyl]-8-(ethylsulfanyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(2-chlorophenyl)methyl]-8-(ethylsulfanyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-[(2-chlorophenyl)methyl]-8-(ethylsulfanyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5251-0122 |
| Compound Name: | 1-[(2-chlorophenyl)methyl]-8-(ethylsulfanyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 364.85 |
| Molecular Formula: | C16 H17 Cl N4 O2 S |
| Smiles: | CCSc1nc2c(C(N(Cc3ccccc3[Cl])C(N2C)=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 3.4073 |
| logD: | 3.4072 |
| logSw: | -3.566 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.331 |
| InChI Key: | PZFNCDONVRVRQB-UHFFFAOYSA-N |