N-[2-(4-chlorophenyl)ethyl]-2-(4-ethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-2-(4-ethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
N-[2-(4-chlorophenyl)ethyl]-2-(4-ethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C797-1441 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-(4-ethyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide |
| Molecular Weight: | 408.89 |
| Molecular Formula: | C22 H21 Cl N4 O2 |
| Smiles: | CCC1=NN(CC(NCCc2ccc(cc2)[Cl])=O)C(c2cc3ccccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.309 |
| logD: | 3.309 |
| logSw: | -3.6311 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.781 |
| InChI Key: | KYXLYXWUTKVUGJ-UHFFFAOYSA-N |