N-[3-(4-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-chloro-2-methoxybenzamide
Chemical Structure Depiction of
N-[3-(4-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-chloro-2-methoxybenzamide
N-[3-(4-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-chloro-2-methoxybenzamide
Compound characteristics
| Compound ID: | 2681-3674 |
| Compound Name: | N-[3-(4-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-chloro-2-methoxybenzamide |
| Molecular Weight: | 530.76 |
| Molecular Formula: | C23 H17 Br Cl N3 O5 |
| Smiles: | COc1ccc(cc1C(NC(=C/c1cccc(c1)[N+]([O-])=O)\C(Nc1ccc(cc1)[Br])=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5811 |
| logD: | 3.7501 |
| logSw: | -5.9846 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.266 |
| InChI Key: | LCNKRNLECWJQDA-UHFFFAOYSA-N |