N-[3-(2-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-chlorobenzamide
Chemical Structure Depiction of
N-[3-(2-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-chlorobenzamide
N-[3-(2-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-chlorobenzamide
Compound characteristics
| Compound ID: | 2681-3587 |
| Compound Name: | N-[3-(2-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-chlorobenzamide |
| Molecular Weight: | 500.73 |
| Molecular Formula: | C22 H15 Br Cl N3 O4 |
| Smiles: | C(=C(/C(Nc1ccccc1[Br])=O)NC(c1cccc(c1)[Cl])=O)\c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2074 |
| logD: | 3.7118 |
| logSw: | -5.7755 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.938 |
| InChI Key: | PTWWZWFHKILNGR-UHFFFAOYSA-N |