N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-phenylacetamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-phenylacetamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-phenylacetamide
Compound characteristics
| Compound ID: | Y043-3809 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-phenylacetamide |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C21 H25 N3 O4 S |
| Smiles: | C1CCC2=CC(N(CC(N(C3CCS(C3)(=O)=O)c3ccccc3)=O)N=C2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1292 |
| logD: | 1.1292 |
| logSw: | -2.2834 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.449 |
| InChI Key: | KYVVCNWPBVBCDV-GOSISDBHSA-N |