ethyl 1-[3-(5-oxo-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(5-oxo-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperidine-4-carboxylate
ethyl 1-[3-(5-oxo-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V028-4398 |
| Compound Name: | ethyl 1-[3-(5-oxo-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperidine-4-carboxylate |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C23 H28 N4 O5 |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)C(CCC1C(N=C(c2ccc(cc2)OCC=C)NN=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9552 |
| logD: | 1.014 |
| logSw: | -2.3757 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.872 |
| InChI Key: | YNSSEPNBKHJRRG-UHFFFAOYSA-N |