N-(2H-1,3-benzodioxol-5-yl)-2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 3871-0045 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 479.51 |
| Molecular Formula: | C23 H21 N5 O5 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2)SCC(Nc2ccc3c(c2)OCO3)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6943 |
| logD: | 3.6943 |
| logSw: | -3.9044 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.28 |
| InChI Key: | POUJPUAQGXFJNV-UHFFFAOYSA-N |