3-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[(4-fluorophenyl)methyl]propanamide
Chemical Structure Depiction of
3-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[(4-fluorophenyl)methyl]propanamide
3-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[(4-fluorophenyl)methyl]propanamide
Compound characteristics
| Compound ID: | V004-3791 |
| Compound Name: | 3-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[(4-fluorophenyl)methyl]propanamide |
| Molecular Weight: | 410.4 |
| Molecular Formula: | C21 H19 F N4 O4 |
| Smiles: | C(CC(NCc1ccc(cc1)F)=O)C1C(N=C(Cc2ccc3c(c2)OCO3)NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.012 |
| logD: | 1.8533 |
| logSw: | -2.562 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.904 |
| InChI Key: | BGCDKQLDCYFNPL-UHFFFAOYSA-N |