methyl 2-{2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | J095-0022 |
| Compound Name: | methyl 2-{2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 373.39 |
| Molecular Formula: | C16 H15 N5 O4 S |
| Smiles: | Cn1c2c(C(NC=N2)=O)nc1SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6779 |
| logD: | 0.665 |
| logSw: | -2.3987 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.138 |
| InChI Key: | ILCNEOMCPLRRAF-UHFFFAOYSA-N |