2-(4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
Chemical Structure Depiction of
2-(4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
2-(4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
Compound characteristics
| Compound ID: | C797-0097 |
| Compound Name: | 2-(4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | CC1=NN(CC(NCCc2ccc(cc2)SC)=O)C(c2cc3ccccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.097 |
| logD: | 3.097 |
| logSw: | -3.4579 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.689 |
| InChI Key: | KMWWWNTXVWBIEL-UHFFFAOYSA-N |