N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | 2447-2648 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide |
| Molecular Weight: | 473.48 |
| Molecular Formula: | C26 H23 N3 O6 |
| Smiles: | Cc1ccc(cc1C)C(NC(=C/c1ccc2c(c1)OCO2)\C(Nc1cc(ccc1C)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.152 |
| logD: | 4.8699 |
| logSw: | -5.0801 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.053 |
| InChI Key: | MUMGEKDLRPKFFH-UHFFFAOYSA-N |