2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | E682-0001 |
| Compound Name: | 2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C20 H18 N4 O5 S2 |
| Smiles: | C1COc2cc(ccc2O1)NC(CSc1ncc(c(N)n1)S(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4906 |
| logD: | 1.4905 |
| logSw: | -2.4868 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.952 |
| InChI Key: | WZYRLLHDRUPKEA-UHFFFAOYSA-N |