N-[3-(4-bromo-3-methylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide
Chemical Structure Depiction of
N-[3-(4-bromo-3-methylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide
N-[3-(4-bromo-3-methylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide
Compound characteristics
| Compound ID: | 2733-3780 |
| Compound Name: | N-[3-(4-bromo-3-methylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide |
| Molecular Weight: | 536.42 |
| Molecular Formula: | C27 H26 Br N3 O4 |
| Smiles: | Cc1cc(ccc1[Br])NC(/C(=C/c1ccc(cc1)[N+]([O-])=O)NC(c1ccc(cc1)C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1699 |
| logD: | 7.032 |
| logSw: | -5.6608 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.636 |
| InChI Key: | BXKKZUHXGRQQPR-UHFFFAOYSA-N |