8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | G856-8525 |
| Compound Name: | 8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 350.82 |
| Molecular Formula: | C15 H15 Cl N4 O2 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0018 |
| logD: | 3.0018 |
| logSw: | -3.4754 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.04 |
| InChI Key: | NCQSIHYMDWOLLH-UHFFFAOYSA-N |