8-[(2-aminophenyl)sulfanyl]-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(2-aminophenyl)sulfanyl]-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(2-aminophenyl)sulfanyl]-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7599-0992 |
| Compound Name: | 8-[(2-aminophenyl)sulfanyl]-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 427.91 |
| Molecular Formula: | C20 H18 Cl N5 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2)[Cl])Sc2ccccc2N)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3332 |
| logD: | 4.3332 |
| logSw: | -4.5586 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.111 |
| InChI Key: | PPFOAQQXVYWGJL-UHFFFAOYSA-N |