3-[3-(3-chloro-4-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-(2-phenylethyl)propanamide
Chemical Structure Depiction of
3-[3-(3-chloro-4-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-(2-phenylethyl)propanamide
3-[3-(3-chloro-4-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-(2-phenylethyl)propanamide
Compound characteristics
| Compound ID: | V022-4817 |
| Compound Name: | 3-[3-(3-chloro-4-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-(2-phenylethyl)propanamide |
| Molecular Weight: | 400.84 |
| Molecular Formula: | C20 H18 Cl F N4 O2 |
| Smiles: | C(CC(NCCc1ccccc1)=O)C1C(N=C(c2ccc(c(c2)[Cl])F)NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1539 |
| logD: | -0.8769 |
| logSw: | -3.3262 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.621 |
| InChI Key: | DTTWBBYVKLHQSC-UHFFFAOYSA-N |