N-(3-chloro-4-methoxyphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G754-0430 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide |
| Molecular Weight: | 455.92 |
| Molecular Formula: | C21 H18 Cl N5 O3 S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(NC=N2)=O)nc1SCC(Nc1ccc(c(c1)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.46 |
| logD: | 3.4588 |
| logSw: | -3.8092 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.954 |
| InChI Key: | NIBXMOJIKHHMRH-UHFFFAOYSA-N |