N-(2H-1,3-benzodioxol-5-yl)-2-({7-[(3-chlorophenyl)methyl]-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-[(3-chlorophenyl)methyl]-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-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8011-6962 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide |
| Molecular Weight: | 513.96 |
| Molecular Formula: | C23 H20 Cl N5 O5 S |
| Smiles: | CN1C(c2c(nc(n2Cc2cccc(c2)[Cl])SCC(Nc2ccc3c(c2)OCO3)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3497 |
| logD: | 4.3497 |
| logSw: | -4.4385 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.28 |
| InChI Key: | CLVNJCCVUGHTTK-UHFFFAOYSA-N |