N-(2,5-difluorophenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(2,5-difluorophenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide
N-(2,5-difluorophenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | F151-0436 |
| Compound Name: | N-(2,5-difluorophenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide |
| Molecular Weight: | 473.5 |
| Molecular Formula: | C22 H21 F2 N5 O3 S |
| Smiles: | CCC(C(Nc1cc(ccc1F)F)=O)SC1NC(C(c2ccccc2NC(CC)=O)=NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.998 |
| logD: | 3.9361 |
| logSw: | -4.1347 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.912 |
| InChI Key: | XKPYMLCNFOLMIQ-KRWDZBQOSA-N |