N-[(4-chlorophenyl)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-[(4-chlorophenyl)methyl]-2-(8-fluoro-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
N-[(4-chlorophenyl)methyl]-2-(8-fluoro-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C786-4275 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-(8-fluoro-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide |
| Molecular Weight: | 398.82 |
| Molecular Formula: | C20 H16 Cl F N4 O2 |
| Smiles: | CC1=NN(CC(NCc2ccc(cc2)[Cl])=O)C(c2cc3cc(ccc3n12)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.286 |
| logD: | 3.286 |
| logSw: | -3.5903 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.847 |
| InChI Key: | KLIMLLMOBJIHLE-UHFFFAOYSA-N |