ethyl 4-{2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | J095-0096 |
| Compound Name: | ethyl 4-{2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 387.42 |
| Molecular Formula: | C17 H17 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nc2C(NC=Nc2n1C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5548 |
| logD: | 1.5542 |
| logSw: | -2.4565 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.415 |
| InChI Key: | WRDZCBOZERZYAN-UHFFFAOYSA-N |