2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 8009-2245 |
| Compound Name: | 2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 477.52 |
| Molecular Formula: | C21 H15 N7 O3 S2 |
| Smiles: | C(c1ccccc1)n1c2ccccc2c2c1nc(nn2)SCC(Nc1ncc([N+]([O-])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.688 |
| logD: | 3.9381 |
| logSw: | -4.6588 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.157 |
| InChI Key: | UERLXJXHQFSNBI-UHFFFAOYSA-N |