7-[(4-chlorophenyl)methyl]-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 2516-4777 |
| Compound Name: | 7-[(4-chlorophenyl)methyl]-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 426.92 |
| Molecular Formula: | C21 H19 Cl N4 O2 S |
| Smiles: | CN1C(NC(c2c1nc(n2Cc1ccc(cc1)[Cl])SCCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9505 |
| logD: | 4.9504 |
| logSw: | -4.9927 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.929 |
| InChI Key: | GHQKKPYLEAUKFT-UHFFFAOYSA-N |