N-(5-chloropyridin-2-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(5-chloropyridin-2-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
N-(5-chloropyridin-2-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | 8009-4977 |
| Compound Name: | N-(5-chloropyridin-2-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide |
| Molecular Weight: | 412.9 |
| Molecular Formula: | C19 H17 Cl N6 O S |
| Smiles: | CCC(C(Nc1ccc(cn1)[Cl])=O)Sc1nc2c(c3ccccc3n2C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3847 |
| logD: | 4.3607 |
| logSw: | -4.4955 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.856 |
| InChI Key: | KCDMYJYWSJKLDJ-AWEZNQCLSA-N |