N-[(5-bromo-2-methoxyphenyl)methyl]-2-(8-fluoro-4-methyl-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-(8-fluoro-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(8-fluoro-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C786-4450 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-(8-fluoro-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide |
| Molecular Weight: | 473.3 |
| Molecular Formula: | C21 H18 Br F N4 O3 |
| Smiles: | CC1=NN(CC(NCc2cc(ccc2OC)[Br])=O)C(c2cc3cc(ccc3n12)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5846 |
| logD: | 3.5846 |
| logSw: | -3.6664 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.478 |
| InChI Key: | SIGUYABUIBHUBA-UHFFFAOYSA-N |