2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)butanamide
Chemical Structure Depiction of
2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)butanamide
2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)butanamide
Compound characteristics
| Compound ID: | 8008-3317 |
| Compound Name: | 2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)butanamide |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C22 H22 N6 O3 S2 |
| Smiles: | CCC(C(Nc1ccc(cc1)S(N)(=O)=O)=O)Sc1nc2c(c3ccccc3n2CC=C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2333 |
| logD: | 3.2319 |
| logSw: | -3.578 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.923 |
| InChI Key: | BNGWHACUDYEECS-SFHVURJKSA-N |