N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamide
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8013-2537 |
| Compound Name: | N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 375.36 |
| Molecular Formula: | C14 H13 N7 O4 S |
| Smiles: | CC(c1cc2c(cc1NC(CSc1nnc3n(cnn13)N)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | -0.5627 |
| logD: | -0.6107 |
| logSw: | -2.0201 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.937 |
| InChI Key: | KCSCNVFTTMHCGY-UHFFFAOYSA-N |