N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
Compound characteristics
| Compound ID: | 2628-3116 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide |
| Molecular Weight: | 495.87 |
| Molecular Formula: | C24 H18 Cl N3 O7 |
| Smiles: | COc1cc(ccc1NC(/C(=C\c1ccc2c(c1)OCO2)NC(c1ccccc1[Cl])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6408 |
| logD: | 3.1475 |
| logSw: | -4.8768 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.684 |
| InChI Key: | AHULNBFLNVFQMI-UHFFFAOYSA-N |