ethyl 1-{2-[2-(2-cyanoanilino)-2-oxoethyl]-1-oxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[2-(2-cyanoanilino)-2-oxoethyl]-1-oxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperidine-4-carboxylate
ethyl 1-{2-[2-(2-cyanoanilino)-2-oxoethyl]-1-oxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | F844-1229 |
| Compound Name: | ethyl 1-{2-[2-(2-cyanoanilino)-2-oxoethyl]-1-oxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperidine-4-carboxylate |
| Molecular Weight: | 499.53 |
| Molecular Formula: | C26 H25 N7 O4 |
| Smiles: | CCOC(C1CCN(CC1)C1C2=NN(CC(Nc3ccccc3C#N)=O)C(N2c2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4236 |
| logD: | 2.4233 |
| logSw: | -3.0649 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.021 |
| InChI Key: | YFBDRMRSICWMJD-UHFFFAOYSA-N |