N-[3-(3-acetylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-bromo-4-methoxybenzamide
Chemical Structure Depiction of
N-[3-(3-acetylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-bromo-4-methoxybenzamide
N-[3-(3-acetylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-bromo-4-methoxybenzamide
Compound characteristics
| Compound ID: | 2681-3449 |
| Compound Name: | N-[3-(3-acetylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-bromo-4-methoxybenzamide |
| Molecular Weight: | 538.35 |
| Molecular Formula: | C25 H20 Br N3 O6 |
| Smiles: | CC(c1cccc(c1)NC(/C(=C/c1ccc(cc1)[N+]([O-])=O)NC(c1ccc(c(c1)[Br])OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5798 |
| logD: | 4.2442 |
| logSw: | -4.5763 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.093 |
| InChI Key: | IRHLLLAQFYFWMR-UHFFFAOYSA-N |