3-(4-butoxyphenyl)-6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-(4-butoxyphenyl)-6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazin-5(2H)-one
3-(4-butoxyphenyl)-6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V021-7834 |
| Compound Name: | 3-(4-butoxyphenyl)-6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C26 H31 N5 O3 |
| Salt: | not_available |
| Smiles: | CCCCOc1ccc(cc1)C1NN=C(CCC(N2CCN(CC2)c2ccccc2)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5771 |
| logD: | 2.6358 |
| logSw: | -3.5004 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.379 |
| InChI Key: | XUBZCQJBCZBTAW-UHFFFAOYSA-N |