3-[3-(3-chloro-4-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-(3-methylbutyl)propanamide
Chemical Structure Depiction of
3-[3-(3-chloro-4-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-(3-methylbutyl)propanamide
3-[3-(3-chloro-4-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-(3-methylbutyl)propanamide
Compound characteristics
| Compound ID: | V022-4794 |
| Compound Name: | 3-[3-(3-chloro-4-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-(3-methylbutyl)propanamide |
| Molecular Weight: | 366.82 |
| Molecular Formula: | C17 H20 Cl F N4 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CCNC(CCC1C(N=C(c2ccc(c(c2)[Cl])F)NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2468 |
| logD: | -0.784 |
| logSw: | -3.5124 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.893 |
| InChI Key: | SMYGNQPFTWQYBU-UHFFFAOYSA-N |