N-(2H-1,3-benzodioxol-5-yl)-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)-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G754-0211 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 421.43 |
| Molecular Formula: | C20 H15 N5 O4 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSc1nc2C(NC=Nc2n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2376 |
| logD: | 2.2363 |
| logSw: | -2.9767 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.439 |
| InChI Key: | JNNNPIMKWAXPRL-UHFFFAOYSA-N |