N-(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-(1,3-benzothiazol-2-yl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
N-(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: | J102-0078 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | C1CCC2=CC(N(CC(Nc3nc4ccccc4s3)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3973 |
| logD: | 3.3973 |
| logSw: | -3.6922 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.475 |
| InChI Key: | VDCNQDJGNRIMPB-UHFFFAOYSA-N |