N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-nitroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-nitroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-nitroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | 2447-2649 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-nitroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide |
| Molecular Weight: | 459.46 |
| Molecular Formula: | C25 H21 N3 O6 |
| Smiles: | Cc1ccc(cc1C)C(NC(=C/c1ccc2c(c1)OCO2)\C(Nc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2257 |
| logD: | 5.0106 |
| logSw: | -5.139 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.751 |
| InChI Key: | UGYCYOUCVYNFKL-UHFFFAOYSA-N |