N-(5-chloro-2-methoxyphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
N-(5-chloro-2-methoxyphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J095-0014 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 379.82 |
| Molecular Formula: | C15 H14 Cl N5 O3 S |
| Smiles: | Cn1c2c(C(NC=N2)=O)nc1SCC(Nc1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2062 |
| logD: | 1.2028 |
| logSw: | -2.8486 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.594 |
| InChI Key: | RDUQABGHNSKAHT-UHFFFAOYSA-N |