N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G754-0270 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSc1nc2C(NC=Nc2n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9989 |
| logD: | 1.9976 |
| logSw: | -2.6492 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.761 |
| InChI Key: | MNJWFGSGBZHYGY-UHFFFAOYSA-N |