2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)-N-[3-(propylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)-N-[3-(propylsulfanyl)propyl]acetamide
2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)-N-[3-(propylsulfanyl)propyl]acetamide
Compound characteristics
Compound ID: | C880-0781 |
Compound Name: | 2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)-N-[3-(propylsulfanyl)propyl]acetamide |
Molecular Weight: | 448.59 |
Molecular Formula: | C25 H28 N4 O2 S |
Smiles: | CCCSCCCNC(CN1C(c2c(C=N1)c1ccccc1n2Cc1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5989 |
logD: | 3.5989 |
logSw: | -3.7001 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.656 |
InChI Key: | IFAUOYNGOQKBIV-UHFFFAOYSA-N |