N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(9-methoxy-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(9-methoxy-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(9-methoxy-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C786-2431 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(9-methoxy-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide |
| Molecular Weight: | 420.42 |
| Molecular Formula: | C22 H20 N4 O5 |
| Smiles: | CC1=NN(CC(NCc2ccc3c(c2)OCO3)=O)C(c2cc3c(cccc3n12)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5428 |
| logD: | 2.5428 |
| logSw: | -2.8936 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.593 |
| InChI Key: | MQBPAYCJAWITAN-UHFFFAOYSA-N |