2-(9-methoxy-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-(9-methoxy-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-(9-methoxy-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | C786-2668 |
| Compound Name: | 2-(9-methoxy-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | CC1=NN(CC(NCc2ccc(cc2)SC)=O)C(c2cc3c(cccc3n12)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.349 |
| logD: | 3.349 |
| logSw: | -3.6478 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.478 |
| InChI Key: | DIBJHZVOPAJLJL-UHFFFAOYSA-N |