N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
Compound characteristics
| Compound ID: | 2447-2652 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide |
| Molecular Weight: | 544.74 |
| Molecular Formula: | C23 H15 Br Cl N3 O6 |
| Smiles: | C1Oc2ccc(/C=C(/C(Nc3ccc(c(c3)[N+]([O-])=O)[Cl])=O)NC(c3ccc(cc3)[Br])=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 5.2806 |
| logD: | 3.7482 |
| logSw: | -6.1155 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.45 |
| InChI Key: | SQWVFADPKAZLSG-UHFFFAOYSA-N |