2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(pyrimidin-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(pyrimidin-2-yl)acetamide
2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(pyrimidin-2-yl)acetamide
Compound characteristics
| Compound ID: | 8009-8269 |
| Compound Name: | 2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(pyrimidin-2-yl)acetamide |
| Molecular Weight: | 379.44 |
| Molecular Formula: | C18 H17 N7 O S |
| Smiles: | CC(C)n1c2ccccc2c2c1nc(nn2)SCC(Nc1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8763 |
| logD: | 1.8747 |
| logSw: | -2.4996 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.773 |
| InChI Key: | BVTSUFXBXAUYCX-UHFFFAOYSA-N |