ethyl 1-{3-[3-(3-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[3-(3-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}piperidine-3-carboxylate
ethyl 1-{3-[3-(3-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V021-3455 |
| Compound Name: | ethyl 1-{3-[3-(3-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}piperidine-3-carboxylate |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C21 H26 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(CCC1C(N=C(c2cccc(C)c2)NN=1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7831 |
| logD: | 1.7831 |
| logSw: | -2.2151 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.388 |
| InChI Key: | YBFIMHPAUXKYII-INIZCTEOSA-N |