N-(2H-1,3-benzodioxol-5-yl)-2-[3,5-dioxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[3,5-dioxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[3,5-dioxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]acetamide
Compound characteristics
| Compound ID: | M152-1601 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[3,5-dioxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-6(5H)-yl]acetamide |
| Molecular Weight: | 400.41 |
| Molecular Formula: | C18 H16 N4 O5 S |
| Smiles: | C=CCN1C2=C(C=NN(CC(Nc3ccc4c(c3)OCO4)=O)C2=O)SCC1=O |
| Stereo: | ACHIRAL |
| logP: | 1.671 |
| logD: | 1.6709 |
| logSw: | -2.6977 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.631 |
| InChI Key: | IXQORKLUKGUTAX-UHFFFAOYSA-N |