2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | J102-0079 |
| Compound Name: | 2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 387.43 |
| Molecular Formula: | C20 H25 N3 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CN1C(C=C2CCCCCC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0082 |
| logD: | 2.008 |
| logSw: | -2.778 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.691 |
| InChI Key: | LMTFFCFKDRRZNX-UHFFFAOYSA-N |