ethyl 4-[3-(3-{3-[(but-3-en-1-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-[(but-3-en-1-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperazine-1-carboxylate
ethyl 4-[3-(3-{3-[(but-3-en-1-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | V003-9605 |
| Compound Name: | ethyl 4-[3-(3-{3-[(but-3-en-1-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C23 H29 N5 O5 |
| Salt: | not_available |
| Smiles: | CCOC(N1CCN(CC1)C(CCC1C(N=C(c2cccc(c2)OCCC=C)NN=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1585 |
| logD: | 2.1585 |
| logSw: | -2.6525 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.898 |
| InChI Key: | BTUAYTYRGULSHJ-UHFFFAOYSA-N |