N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(3-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(3-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(3-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide
Compound characteristics
| Compound ID: | V022-4818 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(3-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide |
| Molecular Weight: | 396.38 |
| Molecular Formula: | C20 H17 F N4 O4 |
| Salt: | not_available |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)C1C(N=C(c2cccc(c2)F)NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8751 |
| logD: | -0.2194 |
| logSw: | -2.3761 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.895 |
| InChI Key: | ZULACLCPZLLVQJ-UHFFFAOYSA-N |