N-[3-(3-acetylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-4-methoxybenzamide
Chemical Structure Depiction of
N-[3-(3-acetylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-4-methoxybenzamide
N-[3-(3-acetylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-4-methoxybenzamide
Compound characteristics
| Compound ID: | 2628-3226 |
| Compound Name: | N-[3-(3-acetylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-4-methoxybenzamide |
| Molecular Weight: | 493.9 |
| Molecular Formula: | C25 H20 Cl N3 O6 |
| Smiles: | CC(c1cccc(c1)NC(/C(=C\c1ccc(cc1)[N+]([O-])=O)NC(c1ccc(cc1[Cl])OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5626 |
| logD: | 4.2044 |
| logSw: | -4.8809 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.006 |
| InChI Key: | VLDKPDDSIQFTCL-UHFFFAOYSA-N |