N-[3-(3-acetylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide
Chemical Structure Depiction of
N-[3-(3-acetylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide
N-[3-(3-acetylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide
Compound characteristics
| Compound ID: | 2733-3774 |
| Compound Name: | N-[3-(3-acetylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C28 H27 N3 O5 |
| Smiles: | CC(c1cccc(c1)NC(/C(=C/c1ccc(cc1)[N+]([O-])=O)NC(c1ccc(cc1)C(C)(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7363 |
| logD: | 5.5983 |
| logSw: | -5.5706 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.462 |
| InChI Key: | IUPNVGHAXXDVLB-UHFFFAOYSA-N |