N-(2-cyanophenyl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(2-cyanophenyl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
N-(2-cyanophenyl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | 8008-9415 |
| Compound Name: | N-(2-cyanophenyl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C22 H20 N6 O S |
| Smiles: | CCC(C(Nc1ccccc1C#N)=O)Sc1nc2c(c3ccccc3n2CC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3767 |
| logD: | 4.374 |
| logSw: | -4.2965 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.424 |
| InChI Key: | QSIASWUQUQOIQE-SFHVURJKSA-N |