2-[4-(2-methylpropyl)-3,5-dioxo-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[4-(2-methylpropyl)-3,5-dioxo-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[4-(2-methylpropyl)-3,5-dioxo-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | M152-0943 |
| Compound Name: | 2-[4-(2-methylpropyl)-3,5-dioxo-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 440.44 |
| Molecular Formula: | C19 H19 F3 N4 O3 S |
| Smiles: | CC(C)CN1C2=C(C=NN(CC(Nc3cccc(c3)C(F)(F)F)=O)C2=O)SCC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.6365 |
| logD: | 3.6363 |
| logSw: | -3.9175 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.537 |
| InChI Key: | ABQKXHOUOICYFC-UHFFFAOYSA-N |