N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | 2447-2720 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide |
| Molecular Weight: | 493.9 |
| Molecular Formula: | C25 H20 Cl N3 O6 |
| Smiles: | Cc1ccc(cc1C)C(NC(=C/c1ccc2c(c1)OCO2)\C(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4326 |
| logD: | 3.9002 |
| logSw: | -6.0562 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.45 |
| InChI Key: | YQGDOZUDCPLAGU-UHFFFAOYSA-N |