N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Chemical Structure Depiction of
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Compound characteristics
| Compound ID: | J102-0198 |
| Compound Name: | N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide |
| Molecular Weight: | 368.46 |
| Molecular Formula: | C19 H20 N4 O2 S |
| Smiles: | Cc1ccc2c(c1)sc(NC(CN1C(C=C3CCCCCC3=N1)=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.786 |
| logD: | 3.7859 |
| logSw: | -3.8801 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.475 |
| InChI Key: | ZZXJYWUUOYEOHQ-UHFFFAOYSA-N |