N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G754-0415 |
| Compound Name: | N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide |
| Molecular Weight: | 459.53 |
| Molecular Formula: | C23 H21 N7 O2 S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(NC=N2)=O)nc1SCC(NCc1nc2ccccc2n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4905 |
| logD: | 2.4818 |
| logSw: | -2.6767 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.632 |
| InChI Key: | QFUGATNEFPGNDG-UHFFFAOYSA-N |