3-(3-{3-[(butan-2-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-[(4-fluorophenyl)methyl]propanamide
Chemical Structure Depiction of
3-(3-{3-[(butan-2-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-[(4-fluorophenyl)methyl]propanamide
3-(3-{3-[(butan-2-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-[(4-fluorophenyl)methyl]propanamide
Compound characteristics
| Compound ID: | V021-0564 |
| Compound Name: | 3-(3-{3-[(butan-2-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-[(4-fluorophenyl)methyl]propanamide |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C23 H25 F N4 O3 |
| Salt: | not_available |
| Smiles: | CCC(C)Oc1cccc(c1)C1NN=C(CCC(NCc2ccc(cc2)F)=O)C(N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2089 |
| logD: | 3.2089 |
| logSw: | -3.3876 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.465 |
| InChI Key: | XTJYXBUDHPAINH-HNNXBMFYSA-N |