N-[2-(3-{[1-(2,5-difluoroanilino)-1-oxopropan-2-yl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide
Chemical Structure Depiction of
N-[2-(3-{[1-(2,5-difluoroanilino)-1-oxopropan-2-yl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide
N-[2-(3-{[1-(2,5-difluoroanilino)-1-oxopropan-2-yl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide
Compound characteristics
| Compound ID: | D509-0616 |
| Compound Name: | N-[2-(3-{[1-(2,5-difluoroanilino)-1-oxopropan-2-yl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide |
| Molecular Weight: | 473.5 |
| Molecular Formula: | C22 H21 F2 N5 O3 S |
| Smiles: | CC(C)C(Nc1ccccc1C1C(NC(=NN=1)SC(C)C(Nc1cc(ccc1F)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2418 |
| logD: | 4.1798 |
| logSw: | -4.2926 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.126 |
| InChI Key: | YUNJDOHHDLBYLI-LBPRGKRZSA-N |