N-cyclohexyl-2-[ethyl(3-methylphenyl)amino]-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
N-cyclohexyl-2-[ethyl(3-methylphenyl)amino]-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
N-cyclohexyl-2-[ethyl(3-methylphenyl)amino]-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
Compound ID: | C094-2377 |
Compound Name: | N-cyclohexyl-2-[ethyl(3-methylphenyl)amino]-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide |
Molecular Weight: | 439.51 |
Molecular Formula: | C24 H29 N3 O5 |
Smiles: | CCN(C(C(NC1CCCCC1)=O)c1cc2c(cc1[N+]([O-])=O)OCO2)c1cccc(C)c1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.3657 |
logD: | 5.3657 |
logSw: | -5.2956 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.297 |
InChI Key: | PXQMRTAHVVGGOA-HSZRJFAPSA-N |