N-[3-(4-bromoanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide
Chemical Structure Depiction of
N-[3-(4-bromoanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide
N-[3-(4-bromoanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide
Compound characteristics
| Compound ID: | 2733-3767 |
| Compound Name: | N-[3-(4-bromoanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide |
| Molecular Weight: | 522.4 |
| Molecular Formula: | C26 H24 Br N3 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NC(=C/c1ccc(cc1)[N+]([O-])=O)\C(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8293 |
| logD: | 6.6913 |
| logSw: | -5.8367 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.636 |
| InChI Key: | CAFKCLMDKLXQIR-UHFFFAOYSA-N |