N-[1-(adamantan-1-yl)ethyl]-2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide
N-[1-(adamantan-1-yl)ethyl]-2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide
Compound characteristics
| Compound ID: | C884-1638 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C27 H34 N4 O2 |
| Smiles: | CCC(C(NC(C)C12CC3CC(CC(C3)C2)C1)=O)n1c2C(N(C)N=Cc2c2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4092 |
| logD: | 4.4091 |
| logSw: | -4.2374 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.184 |
| InChI Key: | WPBCXPORRZWTFA-UHFFFAOYSA-N |