N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4,8-dimethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4,8-dimethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4,8-dimethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C786-1755 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4,8-dimethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide |
| Molecular Weight: | 469.34 |
| Molecular Formula: | C22 H21 Br N4 O3 |
| Smiles: | CC1=NN(CC(NCc2cc(ccc2OC)[Br])=O)C(c2cc3cc(C)ccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0089 |
| logD: | 4.0089 |
| logSw: | -4.2148 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.478 |
| InChI Key: | XXOPZTZXKRUADE-UHFFFAOYSA-N |