2-[(2-cyanoethyl)(methyl)amino]-N-cyclopentyl-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
2-[(2-cyanoethyl)(methyl)amino]-N-cyclopentyl-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
2-[(2-cyanoethyl)(methyl)amino]-N-cyclopentyl-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | C094-2426 |
| Compound Name: | 2-[(2-cyanoethyl)(methyl)amino]-N-cyclopentyl-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 374.39 |
| Molecular Formula: | C18 H22 N4 O5 |
| Smiles: | CN(CCC#N)C(C(NC1CCCC1)=O)c1cc2c(cc1[N+]([O-])=O)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7134 |
| logD: | 1.7076 |
| logSw: | -2.42 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.208 |
| InChI Key: | TVSIORPMJGBFLR-QGZVFWFLSA-N |