2-[(4-amino-5-fluoropyrimidin-2-yl)sulfanyl]-N-(2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
2-[(4-amino-5-fluoropyrimidin-2-yl)sulfanyl]-N-(2H-1,3-benzodioxol-5-yl)acetamide
2-[(4-amino-5-fluoropyrimidin-2-yl)sulfanyl]-N-(2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | 8019-0284 |
| Compound Name: | 2-[(4-amino-5-fluoropyrimidin-2-yl)sulfanyl]-N-(2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 322.32 |
| Molecular Formula: | C13 H11 F N4 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSc1ncc(c(N)n1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7878 |
| logD: | 1.7878 |
| logSw: | -2.5938 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.743 |
| InChI Key: | LVVFRQNLCWQJFE-UHFFFAOYSA-N |