N-(3-methylphenyl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Chemical Structure Depiction of
N-(3-methylphenyl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
N-(3-methylphenyl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Compound characteristics
| Compound ID: | J102-0116 |
| Compound Name: | N-(3-methylphenyl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide |
| Molecular Weight: | 311.38 |
| Molecular Formula: | C18 H21 N3 O2 |
| Smiles: | Cc1cccc(c1)NC(CN1C(C=C2CCCCCC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9876 |
| logD: | 2.9876 |
| logSw: | -3.1579 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.713 |
| InChI Key: | PLVFDMBMDSUSPA-UHFFFAOYSA-N |