N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-4-nitroaniline
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-4-nitroaniline
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-4-nitroaniline
Compound characteristics
| Compound ID: | Y508-9098 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-4-nitroaniline |
| Molecular Weight: | 286.28 |
| Molecular Formula: | C15 H14 N2 O4 |
| Smiles: | Cc1cc(ccc1NCc1ccc2c(c1)OCO2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4858 |
| logD: | 3.4858 |
| logSw: | -3.6473 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.272 |
| InChI Key: | HUWKCHOVIMSRCZ-UHFFFAOYSA-N |