N-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2(1H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2(1H)-yl)methyl]benzamide
N-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2(1H)-yl)methyl]benzamide
Compound characteristics
Compound ID: | S372-1418 |
Compound Name: | N-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2(1H)-yl)methyl]benzamide |
Molecular Weight: | 442.52 |
Molecular Formula: | C26 H26 N4 O3 |
Smiles: | COc1cccc(CNC(c2ccc(CN3C=Cn4c(C3=O)c3CCCCc3n4)cc2)=O)c1 |
Stereo: | ACHIRAL |
logP: | 2.4361 |
logD: | 2.4361 |
logSw: | -2.7631 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.397 |
InChI Key: | JWQZRRKNJAHDNF-UHFFFAOYSA-N |