ethyl 1-{3-[3-(4-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[3-(4-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}piperidine-4-carboxylate
ethyl 1-{3-[3-(4-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V021-3480 |
| Compound Name: | ethyl 1-{3-[3-(4-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}piperidine-4-carboxylate |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C21 H26 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)C(CCC1C(N=C(c2ccc(C)cc2)NN=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8455 |
| logD: | 1.8455 |
| logSw: | -2.2154 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.454 |
| InChI Key: | XUOVLYFOGJFJKN-UHFFFAOYSA-N |