N-[1-(adamantan-1-yl)ethyl]-2-{6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-2-{6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide
N-[1-(adamantan-1-yl)ethyl]-2-{6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide
Compound characteristics
| Compound ID: | C891-1955 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-2-{6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C29 H35 F N4 O2 |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)NC(CN1C(c2c(C=N1)c(C)n(Cc1ccccc1F)c2C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5785 |
| logD: | 4.5785 |
| logSw: | -4.4808 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.596 |
| InChI Key: | UUTUTLKSNSKOGM-HFESIUDZSA-N |