N-(2-cyanophenyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(2-cyanophenyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
N-(2-cyanophenyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | 8008-9417 |
| Compound Name: | N-(2-cyanophenyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide |
| Molecular Weight: | 402.48 |
| Molecular Formula: | C21 H18 N6 O S |
| Smiles: | CCC(C(Nc1ccccc1C#N)=O)Sc1nc2c(c3ccccc3n2C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6663 |
| logD: | 3.6636 |
| logSw: | -3.9589 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.509 |
| InChI Key: | RGNDFRPQONJZTJ-KRWDZBQOSA-N |