N-{4-methyl-2-[5-oxo-3-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}propanamide
Chemical Structure Depiction of
N-{4-methyl-2-[5-oxo-3-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}propanamide
N-{4-methyl-2-[5-oxo-3-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}propanamide
Compound characteristics
| Compound ID: | F151-0217 |
| Compound Name: | N-{4-methyl-2-[5-oxo-3-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}propanamide |
| Molecular Weight: | 491.49 |
| Molecular Formula: | C22 H20 F3 N5 O3 S |
| Smiles: | CCC(Nc1ccc(C)cc1C1C(NC(=NN=1)SCC(Nc1cccc(c1)C(F)(F)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.756 |
| logD: | 3.7218 |
| logSw: | -3.9131 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.397 |
| InChI Key: | CECYCTQHNYNXKE-UHFFFAOYSA-N |