N-[3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Chemical Structure Depiction of
N-[3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
N-[3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Compound characteristics
| Compound ID: | Y043-2165 |
| Compound Name: | N-[3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C21 H26 N4 O4 S |
| Smiles: | C1CCC2=CC(N(CC(Nc3cccc(c3)N3CCCCS3(=O)=O)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0794 |
| logD: | 2.0794 |
| logSw: | -2.972 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.383 |
| InChI Key: | UUDOCIKYVHRXDH-UHFFFAOYSA-N |