2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-(2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-(2H-1,3-benzodioxol-5-yl)acetamide
2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-(2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | 8018-9999 |
| Compound Name: | 2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-(2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 329.33 |
| Molecular Formula: | C14 H11 N5 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSc1ncc(C#N)c(N)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3111 |
| logD: | 1.311 |
| logSw: | -2.4418 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.799 |
| InChI Key: | GYFCPRWSCADFMS-UHFFFAOYSA-N |