2-(6-benzyl-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl)-N-[3-(cyclohexylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-(6-benzyl-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl)-N-[3-(cyclohexylsulfanyl)propyl]acetamide
2-(6-benzyl-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl)-N-[3-(cyclohexylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | C891-0239 |
| Compound Name: | 2-(6-benzyl-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl)-N-[3-(cyclohexylsulfanyl)propyl]acetamide |
| Molecular Weight: | 466.65 |
| Molecular Formula: | C26 H34 N4 O2 S |
| Smiles: | Cc1c2C=NN(CC(NCCCSC3CCCCC3)=O)C(c2c(C)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6385 |
| logD: | 3.6385 |
| logSw: | -4.0063 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.433 |
| InChI Key: | ZGONHXAGQIIMMC-UHFFFAOYSA-N |