N-{[4-(methylsulfanyl)phenyl]methyl}-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1(6H)-yl]acetamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1(6H)-yl]acetamide
N-{[4-(methylsulfanyl)phenyl]methyl}-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1(6H)-yl]acetamide
Compound characteristics
| Compound ID: | F046-0243 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1(6H)-yl]acetamide |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C24 H27 N5 O2 S |
| Smiles: | CSc1ccc(CNC(CN2C(C=CC(=N2)N2CCN(CC2)c2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0756 |
| logD: | 3.0755 |
| logSw: | -3.2548 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.856 |
| InChI Key: | MSLYRTDOIQBFSE-UHFFFAOYSA-N |