2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
Chemical Structure Depiction of
2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
Compound characteristics
| Compound ID: | E854-0216 |
| Compound Name: | 2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C24 H25 N5 O2 S |
| Smiles: | CC1c2c(C(N(CC(NCCc3ccc(cc3)SC)=O)N=1)=O)nn(c1ccccc1)c2C |
| Stereo: | ACHIRAL |
| logP: | 2.9362 |
| logD: | 2.9362 |
| logSw: | -3.3519 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.655 |
| InChI Key: | UBOMLCXRARIYKE-UHFFFAOYSA-N |