N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(2-methoxy-4-nitrophenyl)urea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(2-methoxy-4-nitrophenyl)urea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(2-methoxy-4-nitrophenyl)urea
Compound characteristics
| Compound ID: | Y205-3026 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(2-methoxy-4-nitrophenyl)urea |
| Molecular Weight: | 345.31 |
| Molecular Formula: | C16 H15 N3 O6 |
| Smiles: | COc1cc(ccc1NC(NCc1ccc2c(c1)OCO2)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6175 |
| logD: | 2.6152 |
| logSw: | -3.0851 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.293 |
| InChI Key: | LFWJDXOPGSFUEJ-UHFFFAOYSA-N |