8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3615-0342 |
| Compound Name: | 8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 440.95 |
| Molecular Formula: | C22 H21 Cl N4 O2 S |
| Smiles: | Cc1ccccc1Cn1c2C(N(C)C(N(C)c2nc1SCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5368 |
| logD: | 5.5367 |
| logSw: | -5.901 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.015 |
| InChI Key: | OGDKWDAPJWZPNK-UHFFFAOYSA-N |