2-[(2-cyanoethyl)(methyl)amino]-N-cyclohexyl-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
2-[(2-cyanoethyl)(methyl)amino]-N-cyclohexyl-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
2-[(2-cyanoethyl)(methyl)amino]-N-cyclohexyl-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | C094-2390 |
| Compound Name: | 2-[(2-cyanoethyl)(methyl)amino]-N-cyclohexyl-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C19 H24 N4 O5 |
| Smiles: | CN(CCC#N)C(C(NC1CCCCC1)=O)c1cc2c(cc1[N+]([O-])=O)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1688 |
| logD: | 2.1629 |
| logSw: | -2.7284 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.842 |
| InChI Key: | NRROHMTZDLAMNC-GOSISDBHSA-N |