2-[3,5-dioxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[3,5-dioxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[3,5-dioxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | M152-1589 |
| Compound Name: | 2-[3,5-dioxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C18 H17 F N4 O3 S |
| Smiles: | C=CCN1C2=C(C=NN(CC(NCc3ccc(cc3)F)=O)C2=O)SCC1=O |
| Stereo: | ACHIRAL |
| logP: | 1.4447 |
| logD: | 1.4447 |
| logSw: | -2.4163 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.837 |
| InChI Key: | IBNQGBLWOFMCPY-UHFFFAOYSA-N |