N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-2-(3,7-dimethyl-4-oxo-2-phenyl-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl)acetamide
Chemical Structure Depiction of
N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-2-(3,7-dimethyl-4-oxo-2-phenyl-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl)acetamide
N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-2-(3,7-dimethyl-4-oxo-2-phenyl-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl)acetamide
Compound characteristics
| Compound ID: | G740-1132 |
| Compound Name: | N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-2-(3,7-dimethyl-4-oxo-2-phenyl-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl)acetamide |
| Molecular Weight: | 491.66 |
| Molecular Formula: | C27 H33 N5 O2 S |
| Smiles: | CC1c2c(C(N(CC(NCCSC34CC5CC(CC(C5)C4)C3)=O)N=1)=O)c(C)n(c1ccccc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.85 |
| logD: | 3.85 |
| logSw: | -4.2514 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.689 |
| InChI Key: | UNYOTWUHAGYHKO-UHFFFAOYSA-N |