N-benzyl-2-(4,8-dimethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-benzyl-2-(4,8-dimethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
N-benzyl-2-(4,8-dimethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C786-1541 |
| Compound Name: | N-benzyl-2-(4,8-dimethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C21 H20 N4 O2 |
| Smiles: | CC1=NN(CC(NCc2ccccc2)=O)C(c2cc3cc(C)ccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1156 |
| logD: | 3.1156 |
| logSw: | -3.2799 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.847 |
| InChI Key: | WQQUPNPCVSDJLK-UHFFFAOYSA-N |