3-(3,4-dimethoxyphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
3-(3,4-dimethoxyphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V027-1249 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C20 H26 N4 O4 |
| Smiles: | CC1CCN(CC1)C(CCC1C(N=C(c2ccc(c(c2)OC)OC)NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3866 |
| logD: | 1.3866 |
| logSw: | -2.0716 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.961 |
| InChI Key: | MRRUTURMLZCNAG-UHFFFAOYSA-N |