2-[benzyl(methyl)amino]-N-cyclopentyl-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
2-[benzyl(methyl)amino]-N-cyclopentyl-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
2-[benzyl(methyl)amino]-N-cyclopentyl-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
Compound ID: | C094-2399 |
Compound Name: | 2-[benzyl(methyl)amino]-N-cyclopentyl-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide |
Molecular Weight: | 411.46 |
Molecular Formula: | C22 H25 N3 O5 |
Smiles: | CN(Cc1ccccc1)C(C(NC1CCCC1)=O)c1cc2c(cc1[N+]([O-])=O)OCO2 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.7048 |
logD: | 3.4712 |
logSw: | -4.0214 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.466 |
InChI Key: | OAXHKUGOZAROHL-OAQYLSRUSA-N |