N-[2-(4-chlorophenyl)ethyl]-2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
N-[2-(4-chlorophenyl)ethyl]-2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C786-3954 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-(8-fluoro-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: | C(CNC(CN1C(c2cc3cc(ccc3n2C=N1)F)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.4201 |
| logD: | 2.4201 |
| logSw: | -3.385 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.997 |
| InChI Key: | LKAFUWWGFYZCSM-UHFFFAOYSA-N |