ethyl 4-[3-(3-{3-[(butan-2-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(3-{3-[(butan-2-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperazine-1-carboxylate
ethyl 4-[3-(3-{3-[(butan-2-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | V025-2366 |
| Compound Name: | ethyl 4-[3-(3-{3-[(butan-2-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C23 H31 N5 O5 |
| Salt: | not_available |
| Smiles: | CCC(C)Oc1cccc(c1)C1NN=C(CCC(N2CCN(CC2)C(=O)OCC)=O)C(N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3104 |
| logD: | 2.3104 |
| logSw: | -2.7929 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.166 |
| InChI Key: | OGBHNGUVAWUITC-INIZCTEOSA-N |