ethyl 1-{3-[3-(3-butoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[3-(3-butoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}piperidine-3-carboxylate
ethyl 1-{3-[3-(3-butoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}piperidine-3-carboxylate
Compound characteristics
Compound ID: | V020-8905 |
Compound Name: | ethyl 1-{3-[3-(3-butoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanoyl}piperidine-3-carboxylate |
Molecular Weight: | 456.54 |
Molecular Formula: | C24 H32 N4 O5 |
Salt: | not_available |
Smiles: | CCCCOc1cccc(c1)C1NN=C(CCC(N2CCCC(C2)C(=O)OCC)=O)C(N=1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.925 |
logD: | 2.925 |
logSw: | -3.2348 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 90.805 |
InChI Key: | ROQCYCTUMJBXRA-SFHVURJKSA-N |