2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-[(4-methylphenyl)methyl]acetamide
2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
Compound ID: | M183-0786 |
Compound Name: | 2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-[(4-methylphenyl)methyl]acetamide |
Molecular Weight: | 404.51 |
Molecular Formula: | C24 H28 N4 O2 |
Smiles: | Cc1ccc(CNC(CN2C(c3ccccc3C(=N2)N2CCCCCC2)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.6098 |
logD: | 3.6098 |
logSw: | -3.5457 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.04 |
InChI Key: | JVLVFRKTHBSZBC-UHFFFAOYSA-N |