2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
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)butanamide
2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | 6623-1348 |
| 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)butanamide |
| Molecular Weight: | 479.54 |
| Molecular Formula: | C21 H17 N7 O3 S2 |
| Smiles: | CCC(C(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O)Sc1nc2c(c3ccccc3n2C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7914 |
| logD: | 4.7912 |
| logSw: | -4.8281 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.294 |
| InChI Key: | JLRFEZARFNWPLA-HNNXBMFYSA-N |