3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V004-1418 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C25 H27 N5 O4 |
| Smiles: | C(CC(N1CCN(CC1)Cc1ccccc1)=O)C1C(N=C(Cc2ccc3c(c2)OCO3)NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.892 |
| logD: | 1.7095 |
| logSw: | -2.544 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.366 |
| InChI Key: | YKUGYAMWUZIBHM-UHFFFAOYSA-N |