2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 3698-0013 |
| Compound Name: | 2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C19 H13 N7 O3 S2 |
| Smiles: | Cn1c2ccccc2c2c1nc(nn2)SCC(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6639 |
| logD: | 3.6638 |
| logSw: | -4.0638 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.081 |
| InChI Key: | IUOWXLIJKQHSAE-UHFFFAOYSA-N |