N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J095-0104 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 373.39 |
| Molecular Formula: | C16 H15 N5 O4 S |
| Smiles: | Cn1c2c(C(NC=N2)=O)nc1SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0741 |
| logD: | -0.0747 |
| logSw: | -2.4503 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.485 |
| InChI Key: | AFWOCMQKYIDNIS-UHFFFAOYSA-N |