3-{4-[(but-3-en-1-yl)oxy]phenyl}-6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-{4-[(but-3-en-1-yl)oxy]phenyl}-6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazin-5(2H)-one
3-{4-[(but-3-en-1-yl)oxy]phenyl}-6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V003-9347 |
| Compound Name: | 3-{4-[(but-3-en-1-yl)oxy]phenyl}-6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 459.55 |
| Molecular Formula: | C26 H29 N5 O3 |
| Salt: | not_available |
| Smiles: | C=CCCOc1ccc(cc1)C1NN=C(CCC(N2CCN(CC2)c2ccccc2)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2528 |
| logD: | 2.3115 |
| logSw: | -3.3143 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.379 |
| InChI Key: | BFLRDGRDOPCWQF-UHFFFAOYSA-N |