N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-nitrophenyl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-nitrophenyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y032-1621 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-nitrophenyl)acetamide |
| Molecular Weight: | 314.3 |
| Molecular Formula: | C16 H14 N2 O5 |
| Smiles: | C(C(NCc1ccc2c(c1)OCO2)=O)c1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6764 |
| logD: | 2.6764 |
| logSw: | -3.1005 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.634 |
| InChI Key: | LIRSUYKAUMQUQA-UHFFFAOYSA-N |