N-methyl-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
N-methyl-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide
N-methyl-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | G754-0335 |
| Compound Name: | N-methyl-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C21 H19 N5 O2 S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(NC=N2)=O)nc1SCC(N(C)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3911 |
| logD: | 2.3898 |
| logSw: | -2.6677 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.287 |
| InChI Key: | DPFIIOZOQMDUIS-UHFFFAOYSA-N |