N-(2-methoxy-4-nitrophenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-4-nitrophenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-methoxy-4-nitrophenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y032-0610 |
| Compound Name: | N-(2-methoxy-4-nitrophenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 316.27 |
| Molecular Formula: | C15 H12 N2 O6 |
| Smiles: | COc1cc(ccc1NC(c1ccc2c(c1)OCO2)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.957 |
| logD: | 2.7949 |
| logSw: | -3.5061 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.759 |
| InChI Key: | JHVLJTNTSNUPAT-UHFFFAOYSA-N |