N-(3-chloro-4-fluorophenyl)-2-(4-ethyl-8-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-(4-ethyl-8-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
N-(3-chloro-4-fluorophenyl)-2-(4-ethyl-8-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C888-0658 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-(4-ethyl-8-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide |
| Molecular Weight: | 412.85 |
| Molecular Formula: | C21 H18 Cl F N4 O2 |
| Smiles: | CCC1=NN(CC(Nc2ccc(c(c2)[Cl])F)=O)C(c2cc3cc(C)ccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6046 |
| logD: | 4.5997 |
| logSw: | -4.6176 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.617 |
| InChI Key: | RHLDSCYKEFFCPF-UHFFFAOYSA-N |