N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetamide
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8020-9020 |
| Compound Name: | N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 395.39 |
| Molecular Formula: | C18 H13 N5 O4 S |
| Smiles: | CC(c1cc2c(cc1NC(CSc1c(C#N)cc(C#N)c(N)n1)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4485 |
| logD: | 1.3948 |
| logSw: | -2.4494 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.917 |
| InChI Key: | NLFWASKMRRDJPA-UHFFFAOYSA-N |