8-(benzylsulfanyl)-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(benzylsulfanyl)-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(benzylsulfanyl)-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 2545-1545 |
| Compound Name: | 8-(benzylsulfanyl)-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 426.92 |
| Molecular Formula: | C21 H19 Cl N4 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2)[Cl])SCc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7804 |
| logD: | 4.7804 |
| logSw: | -4.9468 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.015 |
| InChI Key: | VKLJERDOVVPTLR-UHFFFAOYSA-N |