N-[3-(methylsulfanyl)phenyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
N-[3-(methylsulfanyl)phenyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Compound characteristics
| Compound ID: | J102-0083 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide |
| Molecular Weight: | 343.45 |
| Molecular Formula: | C18 H21 N3 O2 S |
| Smiles: | CSc1cccc(c1)NC(CN1C(C=C2CCCCCC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0885 |
| logD: | 3.0885 |
| logSw: | -3.3747 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.713 |
| InChI Key: | WPRRVONWPNLBOR-UHFFFAOYSA-N |