3-(2H-1,3-benzodioxol-5-yl)-6-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-6-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
3-(2H-1,3-benzodioxol-5-yl)-6-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V001-2894 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-6-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C25 H26 N4 O4 |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(CCC1C(N=C(c2ccc3c(c2)OCO3)NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3253 |
| logD: | 3.3253 |
| logSw: | -3.629 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.545 |
| InChI Key: | NKYNJUXTDIJZKE-UHFFFAOYSA-N |