2-[2-oxo-2-(thiomorpholin-4-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Chemical Structure Depiction of
2-[2-oxo-2-(thiomorpholin-4-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-[2-oxo-2-(thiomorpholin-4-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | J102-0206 |
| Compound Name: | 2-[2-oxo-2-(thiomorpholin-4-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 307.41 |
| Molecular Formula: | C15 H21 N3 O2 S |
| Smiles: | C1CCC2=CC(N(CC(N3CCSCC3)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0021 |
| logD: | 1.0021 |
| logSw: | -1.6639 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.956 |
| InChI Key: | FPTOAKFUXCSBCQ-UHFFFAOYSA-N |